3-[methyl-(phenylmethyl)carbamoyl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[methyl-(phenylmethyl)carbamoyl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[benzyl(methyl)carbamoyl]sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[[methyl-(phenylmethyl)amino]-oxomethyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[benzyl(methyl)carbamoyl]sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[benzyl(methyl)carbamoyl]thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H14N2O4S2 MolecularWeight: 350.41266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)SC2=C(N3C(S2)CC3=O)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)SC2=C(N3C(S2)CC3=O)C(=O)O

InChI

InChI=1S/C15H14N2O4S2/c1-16(8-9-5-3-2-4-6-9)15(21)23-14-12(13(19)20)17-10(18)7-11(17)22-14/h2-6,11H,7-8H2,1H3,(H,19,20)