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

Systemtic Name: methyl 7-(4-methylsulfanylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-(4-methylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-[4-(methylthio)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-methylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-[4-(methylthio)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C19H18O4S2 MolecularWeight: 374.47382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S2/c1-23-19(20)15-9-10-25(21,22)18-8-5-14(11-16(18)12-15)13-3-6-17(24-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3