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

Systemtic Name: 2-ethylsulfanylethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: 2-ethylsulfanylethyl (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-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (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-(ethylthio)ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-4-26-17-8-6-15(7-9-17)16-12-18-20(19(24)13-16)14(3)21(23-18)22(25)27-10-11-28-5-2/h6-9,16,23H,4-5,10-13H2,1-3H3/t16-/m0/s1