methyl 3-(1-methylcyclohex-3-en-1-yl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(1-methylcyclohex-3-en-1-yl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(1-methylcyclohex-3-en-1-yl)sulfanyl-propanoate CAS Name: 3-[(1-methyl-1-cyclohex-3-enyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(1-methylcyclohex-3-en-1-yl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(1-methylcyclohex-3-en-1-yl)thio]propionic acid methyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=CC1)SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1(CCC=CC1)SCC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H25NO4S/c1-19(11-7-4-8-12-19)25-14-16(17(21)23-2)20-18(22)24-13-15-9-5-3-6-10-15/h3-7,9-10,16H,8,11-14H2,1-2H3,(H,20,22)