N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H21N3O3S/c1-12-2-6-15(22-20(26)13-3-4-13)11-16(12)24-21(27)14-5-7-18-17(10-14)23-19(25)8-9-28-18/h2,5-7,10-11,13H,3-4,8-9H2,1H3,(H,22,26)(H,23,25)(H,24,27)