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

Systemtic Name: 6-[(2-cyclohexylphenyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-cyclohexylbenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[(2-cyclohexylphenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-cyclohexylbenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-cyclohexylbenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3C4CCCCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3C4CCCCC4)C(=O)O)C

InChI

InChI=1S/C21H26N2O4S/c1-21(2)16(20(26)27)23-18(25)15(19(23)28-21)22-17(24)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h6-7,10-12,15-16,19H,3-5,8-9H2,1-2H3,(H,22,24)(H,26,27)