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

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H16F2N2O4S MolecularWeight: 394.392446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC(F)F

InChI

InChI=1S/C18H16F2N2O4S/c1-25-13-4-3-11(9-14(13)26-18(19)20)21-17(24)10-2-5-15-12(8-10)22-16(23)6-7-27-15/h2-5,8-9,18H,6-7H2,1H3,(H,21,24)(H,22,23)