methyl 3-(1H-indol-3-yl)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]propionic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H21N3O4S/c1-29-22(28)18(11-14-12-23-16-5-3-2-4-15(14)16)25-21(27)13-6-7-19-17(10-13)24-20(26)8-9-30-19/h2-7,10,12,18,23H,8-9,11H2,1H3,(H,24,26)(H,25,27)