ethyl 3-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-6-yl)propanoate

Systemtic Name: ethyl 3-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-6-yl)propanoate Openeye Name: ethyl 3-(5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propanoate CAS Name: 3-(5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propanoate Traditional Name: 3-(5-keto-6H-benzo[b][1]benzothiepin-6-yl)propionic acid ethyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1C2=CC=CC=C2SC3=CC=CC=C3C1=O

Isomeric SMILES

CCOC(=O)CCC1C2=CC=CC=C2SC3=CC=CC=C3C1=O

InChI

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