S-morpholin-4-yl 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate

Systemtic Name: S-morpholin-4-yl 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate Openeye Name: S-morpholino 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate CAS Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioic acid S-(4-morpholinyl) ester IUPAC Name: S-morpholin-4-yl 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioate Traditional Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-2-yl)ethanethioic acid S-morpholino ester Formula: C20H21NO2S2 MolecularWeight: 371.51624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1SC(=O)CC2=CC3=C(C=C2)SCC4=CC=CC=C4C3

Isomeric SMILES

C1COCCN1SC(=O)CC2=CC3=C(C=C2)SCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21NO2S2/c22-20(25-21-7-9-23-10-8-21)12-15-5-6-19-18(11-15)13-16-3-1-2-4-17(16)14-24-19/h1-6,11H,7-10,12-14H2