5-(quinoxalin-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(quinoxalin-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(quinoxalin-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(6-quinoxalinylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(quinoxalin-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(quinoxalin-6-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=CC5=NC=CN=C5C=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C27H27N3O3S/c1-31-23-15-19(16-24(32-2)27(23)33-3)25-10-13-30(22-6-4-5-7-26(22)34-25)17-18-8-9-20-21(14-18)29-12-11-28-20/h4-9,11-12,14-16,25H,10,13,17H2,1-3H3