(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-pyrrol-1-ylphenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-pyrrol-1-ylphenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-pyrrol-1-ylphenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-pyrrol-1-ylphenyl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-pyrrol-1-ylphenyl)methanone Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H20N2OS/c1-16-11-14-23(19-9-2-3-10-20(19)25-16)21(24)17-7-6-8-18(15-17)22-12-4-5-13-22/h2-10,12-13,15-16H,11,14H2,1H3