methyl 2-[3-bromanyl-5-(2-methoxy-2-oxidanylidene-ethyl)benzo[b][1]benzothiepin-6-yl]ethanoate

Systemtic Name: methyl 2-[3-bromanyl-5-(2-methoxy-2-oxidanylidene-ethyl)benzo[b][1]benzothiepin-6-yl]ethanoate Openeye Name: methyl 2-[3-bromo-5-(2-methoxy-2-oxo-ethyl)benzo[b][1]benzothiepin-6-yl]acetate CAS Name: 2-[3-bromo-5-(2-methoxy-2-oxoethyl)-6-benzo[b][1]benzothiepinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-bromo-5-(2-methoxy-2-oxoethyl)benzo[b][1]benzothiepin-6-yl]acetate Traditional Name: 2-[3-bromo-5-(2-keto-2-methoxy-ethyl)benzo[b][1]benzothiepin-6-yl]acetic acid methyl ester Formula: C20H17BrO4S MolecularWeight: 433.31558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=C(C=CC(=C2)Br)SC3=CC=CC=C31)CC(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C2=C(C=CC(=C2)Br)SC3=CC=CC=C31)CC(=O)OC

InChI

InChI=1S/C20H17BrO4S/c1-24-19(22)10-14-13-5-3-4-6-17(13)26-18-8-7-12(21)9-16(18)15(14)11-20(23)25-2/h3-9H,10-11H2,1-2H3