N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCSC3=CC=CC=C32)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCSC3=CC=CC=C32)CC4=CC=CS4)C

InChI

InChI=1S/C23H24N4OS2/c1-16-17(2)27(14-18-7-5-11-29-18)23(19(16)13-24)25-22(28)15-26-10-6-12-30-21-9-4-3-8-20(21)26/h3-5,7-9,11H,6,10,12,14-15H2,1-2H3,(H,25,28)