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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

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