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

Systemtic Name: 5-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4CC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4CC4

InChI

InChI=1S/C22H27NO3S/c1-24-18-12-16(13-19(25-2)22(18)26-3)20-10-11-23(14-15-8-9-15)17-6-4-5-7-21(17)27-20/h4-7,12-13,15,20H,8-11,14H2,1-3H3