2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl 2-methylpropanoate

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl 2-methylpropanoate Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CC(C)C(=O)OCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C20H20O3S/c1-13(2)20(22)23-10-9-14-7-8-17-18(11-14)24-12-15-5-3-4-6-16(15)19(17)21/h3-8,11,13H,9-10,12H2,1-2H3