2-methylsulfanylethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: 2-methylsulfanylethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: 2-methylsulfanylethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-4-keto-3-methyl-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-(methylthio)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCCSC)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OCCSC)C)C(=O)C2

InChI

InChI=1S/C21H25NO4S/c1-4-25-16-7-5-14(6-8-16)15-11-17-19(18(23)12-15)13(2)20(22-17)21(24)26-9-10-27-3/h5-8,15,22H,4,9-12H2,1-3H3/t15-/m0/s1