[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O3S/c1-15-10-11-24(19-8-4-5-9-20(19)28-15)21(25)14-27-22(26)12-16-13-23-18-7-3-2-6-17(16)18/h2-9,13,15,23H,10-12,14H2,1H3