2-(3,4-dimethoxyphenyl)-8-fluoranyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-fluoranyl-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-fluoro-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C21H18FNO2S2 MolecularWeight: 399.501523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NC3=C(S2)C=C(C=C3)F)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=C(NC3=C(S2)C=C(C=C3)F)C4=CC=CS4)OC

InChI

InChI=1S/C21H18FNO2S2/c1-24-17-8-5-13(10-18(17)25-2)20-12-16(19-4-3-9-26-19)23-15-7-6-14(22)11-21(15)27-20/h3-12,20,23H,1-2H3