4-[[2-azanyl-2-(1-benzothiophen-6-yl)ethanoyl]amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 4-[[2-azanyl-2-(1-benzothiophen-6-yl)ethanoyl]amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-[[2-amino-2-(benzothiophen-6-yl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-[[2-amino-2-(1-benzothiophen-6-yl)-1-oxoethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 4-[[2-amino-2-(1-benzothiophen-6-yl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-[[2-amino-2-(benzothiophen-6-yl)acetyl]amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H16N3O5S2- MolecularWeight: 418.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(CC2=O)SC1NC(=O)C(C3=CC4=C(C=C3)C=CS4)N)C(=O)[O-]

Isomeric SMILES

COC1=C(N2C(CC2=O)SC1NC(=O)C(C3=CC4=C(C=C3)C=CS4)N)C(=O)[O-]

InChI

InChI=1S/C18H17N3O5S2/c1-26-15-14(18(24)25)21-11(22)7-12(21)28-17(15)20-16(23)13(19)9-3-2-8-4-5-27-10(8)6-9/h2-6,12-13,17H,7,19H2,1H3,(H,20,23)(H,24,25)/p-1