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

Systemtic Name: methyl 7-(4-ethylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 7-(4-ethylphenyl)-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

InChI

InChI=1S/C20H20O4S/c1-3-14-4-6-15(7-5-14)16-8-9-19-18(12-16)13-17(20(21)24-2)10-11-25(19,22)23/h4-9,12-13H,3,10-11H2,1-2H3