2-cyclopropyl-5-[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazino]oxazole-4-carbonitrile Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)SCCC(=O)N5)C#N

InChI

InChI=1S/C21H21N5O3S/c22-12-16-21(29-19(24-16)13-1-2-13)26-8-6-25(7-9-26)20(28)14-3-4-17-15(11-14)23-18(27)5-10-30-17/h3-4,11,13H,1-2,5-10H2,(H,23,27)