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

Systemtic Name: N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H16FN3O3S2 MolecularWeight: 429.487743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)F

InChI

InChI=1S/C20H16FN3O3S2/c1-27-16-4-2-11(8-13(16)21)15-10-29-20(23-15)24-19(26)12-3-5-17-14(9-12)22-18(25)6-7-28-17/h2-5,8-10H,6-7H2,1H3,(H,22,25)(H,23,24,26)