methyl 4-acetamido-3-phenylsulfanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-acetamido-3-phenylsulfanyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-acetamido-3-phenylsulfanyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-acetamido-3-(phenylthio)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-acetamido-3-phenylsulfanylcyclohex-3-ene-1-carboxylate Traditional Name: 4-acetamido-3-(phenylthio)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(CC(CC1)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(CC(CC1)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C16H19NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,18)