7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-prop-2-ynoxyimino-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-1-oxo-2-prop-2-ynoxyiminoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-propargyloximino-acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H17N9O6S3 MolecularWeight: 563.58998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC#C)C4=CSC(=N4)NC=O)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCC#C)/C4=CSC(=N4)NC=O)SC2)C(=O)O

InChI

InChI=1S/C19H17N9O6S3/c1-3-4-34-24-11(10-7-36-18(21-10)20-8-29)14(30)22-12-15(31)28-13(17(32)33)9(5-35-16(12)28)6-37-19-23-25-26-27(19)2/h1,7-8,12,16H,4-6H2,2H3,(H,22,30)(H,32,33)(H,20,21,29)/b24-11+