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

Systemtic Name: 4-methyl-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-methyl-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-methyl-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-methyl-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-methyl-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H16N2O4S2/c1-9-7-11(16(21)22)18-14(20)13(15(18)24-9)17-12(19)8-23-10-5-3-2-4-6-10/h2-7,9,13,15H,8H2,1H3,(H,17,19)(H,21,22)