5-(furan-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(furan-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(3-furylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(3-furanylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(furan-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(3-furfuryl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=COC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=COC=C4

InChI

InChI=1S/C23H25NO4S/c1-25-19-12-17(13-20(26-2)23(19)27-3)21-8-10-24(14-16-9-11-28-15-16)18-6-4-5-7-22(18)29-21/h4-7,9,11-13,15,21H,8,10,14H2,1-3H3