methyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 4-acetamido-5-(phenylthio)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-acetamido-5-phenylsulfanylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 4-acetamido-5-(phenylthio)cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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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/C16H17NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)