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

Systemtic Name: methyl 2-[3-methoxy-5-(2-methoxy-2-oxidanylidene-ethyl)benzo[b][1]benzothiepin-6-yl]ethanoate Openeye Name: methyl 2-[3-methoxy-5-(2-methoxy-2-oxo-ethyl)benzo[b][1]benzothiepin-6-yl]acetate CAS Name: 2-[3-methoxy-5-(2-methoxy-2-oxoethyl)-6-benzo[b][1]benzothiepinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-methoxy-5-(2-methoxy-2-oxoethyl)benzo[b][1]benzothiepin-6-yl]acetate Traditional Name: 2-[5-(2-keto-2-methoxy-ethyl)-3-methoxy-benzo[b][1]benzothiepin-6-yl]acetic acid methyl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CC(=O)OC)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C21H20O5S/c1-24-13-8-9-19-17(10-13)16(12-21(23)26-3)15(11-20(22)25-2)14-6-4-5-7-18(14)27-19/h4-10H,11-12H2,1-3H3