6-ethanoyl-3,3-dimethyl-6-[(3-methylphenyl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethanoyl-3,3-dimethyl-6-[(3-methylphenyl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-3,3-dimethyl-6-[(3-methylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-3,3-dimethyl-6-[[(3-methylphenyl)-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-3,3-dimethyl-6-[(3-methylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-7-keto-3,3-dimethyl-6-(m-toluoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2(C3N(C2=O)C(C(S3)(C)C)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2(C3N(C2=O)C(C(S3)(C)C)C(=O)O)C(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-9-6-5-7-11(8-9)13(22)19-18(10(2)21)15(25)20-12(14(23)24)17(3,4)26-16(18)20/h5-8,12,16H,1-4H3,(H,19,22)(H,23,24)