3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-chloranyl-3-methyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[(2-anilinoacetyl)amino]-3-chloro-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[(2-anilino-1-oxoethyl)amino]-3-chloro-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[(2-anilinoacetyl)amino]-3-chloro-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[(2-anilinoacetyl)amino]-3-chloro-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)CNC3=CC=CC=C3)Cl

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)CNC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-16(17)8-25-14-11(13(22)20(14)12(16)15(23)24)19-10(21)7-18-9-5-3-2-4-6-9/h2-6,11-12,14,18H,7-8H2,1H3,(H,19,21)(H,23,24)