4-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11-2-6-13(7-3-11)17-15(18)10-21-14-8-4-12(5-9-14)16(19)20/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,17,18)(H,19,20)