[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H18N2O4S/c1-12(20(25)15-11-22-16-5-3-2-4-14(15)16)27-21(26)13-6-7-18-17(10-13)23-19(24)8-9-28-18/h2-7,10-12,22H,8-9H2,1H3,(H,23,24)