8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine

Systemtic Name: 8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine Openeye Name: 8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine CAS Name: 8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine IUPAC Name: 8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine Traditional Name: 8-ethyl-6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)benzo[b][1,4]benzothiazepine Formula: C21H22N2S MolecularWeight: 334.47778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2C4=CCCN(C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2C4=CCCN(C4)C

InChI

InChI=1S/C21H22N2S/c1-3-15-10-11-19-17(13-15)21(16-7-6-12-23(2)14-16)22-18-8-4-5-9-20(18)24-19/h4-5,7-11,13H,3,6,12,14H2,1-2H3