7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-3-[2-[(carbamothioylamino)methyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-3-[2-[(carbamothioylamino)methyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(cyclopentoxyimino)acetyl]amino]-3-[[2-[(carbamothioylamino)methyl]-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-cyclopentyloxyimino-1-oxoethyl]amino]-3-[[2-[(carbamothioylamino)methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-3-[2-[(carbamothioylamino)methyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-cyclopentyloximino-acetyl]amino]-8-keto-3-[[2-(thioureidomethyl)-4-pyridyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H25N8O5S4- MolecularWeight: 633.7659

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)SC5=CC(=NC=C5)CNC(=S)N)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)O/N=C(\C2=CSC(=N2)N)/C(=O)NC3C4N(C3=O)C(=C(CS4)SC5=CC(=NC=C5)CNC(=S)N)C(=O)[O-]

InChI

InChI=1S/C24H26N8O5S4/c25-23(38)28-8-11-7-13(5-6-27-11)41-15-10-39-21-17(20(34)32(21)18(15)22(35)36)30-19(33)16(14-9-40-24(26)29-14)31-37-12-3-1-2-4-12/h5-7,9,12,17,21H,1-4,8,10H2,(H2,26,29)(H,30,33)(H,35,36)(H3,25,28,38)/p-1/b31-16+