methyl 7-[(4-chlorophenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: methyl 7-[(4-chlorophenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-[(4-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-[(4-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[(4-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-(4-chlorobenzyl)oxy-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C19H17ClO5S MolecularWeight: 392.85328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)Cl)S(=O)(=O)CC1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)Cl)S(=O)(=O)CC1

InChI

InChI=1S/C19H17ClO5S/c1-24-19(21)14-8-9-26(22,23)18-7-6-17(11-15(18)10-14)25-12-13-2-4-16(20)5-3-13/h2-7,10-11H,8-9,12H2,1H3