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

Systemtic Name: methyl 7-(3,4-dichlorophenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-(3,4-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-(3,4-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-(3,4-dichlorophenyl)-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C18H14Cl2O4S MolecularWeight: 397.27236

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)Cl)Cl)S(=O)(=O)CC1

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2O4S/c1-24-18(21)13-6-7-25(22,23)17-5-3-11(8-14(17)9-13)12-2-4-15(19)16(20)10-12/h2-5,8-10H,6-7H2,1H3