7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-ethylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-ethylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-3-(ethylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-3-(ethylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16ClN5O7S3 MolecularWeight: 521.97554

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=C(SC(=N3)N)Cl)SC1)C(=O)O

Isomeric SMILES

CCSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=C(SC(=N3)N)Cl)SC1)C(=O)O

InChI

InChI=1S/C16H16ClN5O7S3/c1-2-30-5-4-31-14-9(13(26)22(14)10(5)15(27)28)19-12(25)8(21-29-3-6(23)24)7-11(17)32-16(18)20-7/h9,14H,2-4H2,1H3,(H2,18,20)(H,19,25)(H,23,24)(H,27,28)/b21-8+