[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-13-8-6-7-11-16(13)19-18(21)14(2)22-17(20)12-23-15-9-4-3-5-10-15/h3-5,9-10,13-14,16H,6-8,11-12H2,1-2H3,(H,19,21)