1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-3,3a,4,6-tetrahydroindole-2,5-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-3,3a,4,6-tetrahydroindole-2,5-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-3,3a,4,6-tetrahydroindole-2,5-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(methylthio)-3,3a,4,6-tetrahydroindole-2,5-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-3,3a,4,6-tetrahydroindole-2,5-dione Traditional Name: 1-homoveratryl-6-(methylthio)-3,3a,4,6-tetrahydroindole-2,5-quinone Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC3C2=CC(C(=O)C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC3C2=CC(C(=O)C3)SC)OC

InChI

InChI=1S/C19H23NO4S/c1-23-16-5-4-12(8-17(16)24-2)6-7-20-14-11-18(25-3)15(21)9-13(14)10-19(20)22/h4-5,8,11,13,18H,6-7,9-10H2,1-3H3