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

Systemtic Name: methyl 2-[5-(2-methoxy-2-oxidanylidene-ethyl)benzo[b][1]benzothiepin-6-yl]ethanoate Openeye Name: methyl 2-[5-(2-methoxy-2-oxo-ethyl)benzo[b][1]benzothiepin-6-yl]acetate CAS Name: 2-[5-(2-methoxy-2-oxoethyl)-6-benzo[b][1]benzothiepinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(2-methoxy-2-oxoethyl)benzo[b][1]benzothiepin-6-yl]acetate Traditional Name: 2-[5-(2-keto-2-methoxy-ethyl)benzo[b][1]benzothiepin-6-yl]acetic acid methyl ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=CC=CC=C2SC3=CC=CC=C31)CC(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C2=CC=CC=C2SC3=CC=CC=C31)CC(=O)OC

InChI

InChI=1S/C20H18O4S/c1-23-19(21)11-15-13-7-3-5-9-17(13)25-18-10-6-4-8-14(18)16(15)12-20(22)24-2/h3-10H,11-12H2,1-2H3