7-[[(2S)-2-azaniumyl-2-cyclohexa-2,5-dien-1-yl-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2S)-2-azaniumyl-2-cyclohexa-2,5-dien-1-yl-ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2S)-2-azaniumyl-2-cyclohexa-2,5-dien-1-yl-acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2S)-2-ammonio-2-(1-cyclohexa-2,5-dienyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2S)-2-azaniumyl-2-cyclohexa-2,5-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2S)-2-ammonio-2-cyclohexa-2,5-dien-1-yl-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3C=CCC=C3)[NH3+])SC1)C(=O)[O-]

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)[C@H](C3C=CCC=C3)[NH3+])SC1)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h3-6,9-11,15H,2,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11?,15?/m0/s1