methyl 3-(1-methoxy-1-oxidanylidene-propan-2-yl)-6-oxidanylidene-5H-benzo[b][1]benzothiepine-5-carboxylate

Systemtic Name: methyl 3-(1-methoxy-1-oxidanylidene-propan-2-yl)-6-oxidanylidene-5H-benzo[b][1]benzothiepine-5-carboxylate Openeye Name: methyl 3-(2-methoxy-1-methyl-2-oxo-ethyl)-6-oxo-5H-benzo[b][1]benzothiepine-5-carboxylate CAS Name: 3-(1-methoxy-1-oxopropan-2-yl)-6-oxo-5H-benzo[b][1]benzothiepin-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-methoxy-1-oxopropan-2-yl)-6-oxo-5H-benzo[b][1]benzothiepine-5-carboxylate Traditional Name: 6-keto-3-(2-keto-2-methoxy-1-methyl-ethyl)-5H-benzo[b][1]benzothiepin-5-carboxylic acid methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H18O5S/c1-11(19(22)24-2)12-8-9-16-14(10-12)17(20(23)25-3)18(21)13-6-4-5-7-15(13)26-16/h4-11,17H,1-3H3