[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-13-7-9-14(10-8-13)18-16(19)11-21-17(20)12-22-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,18,19)