3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1C(=O)O

Isomeric SMILES

CC1=CN2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1C(=O)O

InChI

InChI=1S/C16H16N2O4S/c1-9-8-18-14(20)12(15(18)23-13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,8,12-13,15H,7H2,1H3,(H,17,19)(H,21,22)