N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3O3S2/c1-12-19(13-3-6-15(27-2)7-4-13)23-21(29-12)24-20(26)14-5-8-17-16(11-14)22-18(25)9-10-28-17/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24,26)