propyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)ethanoate

Systemtic Name: propyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: propyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid propyl ester IUPAC Name: propyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)acetic acid propyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

Isomeric SMILES

CCCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

InChI

InChI=1S/C19H18O3S/c1-2-9-22-19(21)11-13-7-8-17-14(10-13)12-16(20)15-5-3-4-6-18(15)23-17/h3-8,10H,2,9,11-12H2,1H3