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

Systemtic Name: N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-[4-(2-methoxyethyl)phenyl]thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-[4-(2-methoxyethyl)phenyl]-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-[4-(2-methoxyethyl)phenyl]thiazol-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H21N3O3S2/c1-28-10-8-14-2-4-15(5-3-14)18-13-30-22(24-18)25-21(27)16-6-7-19-17(12-16)23-20(26)9-11-29-19/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,25,27)