dimethyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1,2-dicarboxylate Openeye Name: dimethyl 4-acetamido-5-phenylsulfanyl-cyclohexa-1,4-diene-1,2-dicarboxylate CAS Name: 4-acetamido-5-(phenylthio)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-acetamido-5-phenylsulfanylcyclohexa-1,4-diene-1,2-dicarboxylate Traditional Name: 4-acetamido-5-(phenylthio)cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(CC(=C(C1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(CC(=C(C1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-11(20)19-15-9-13(17(21)23-2)14(18(22)24-3)10-16(15)25-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20)