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

Systemtic Name: methyl 1,1-bis(oxidanylidene)-7-[3-(4-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 1,1-dioxo-7-[3-(4-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1-dioxo-7-[3-(4-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 1,1-dioxo-7-[3-(4-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-[3-(4-propoxyphenyl)propoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CCCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

InChI

InChI=1S/C24H28O6S/c1-3-13-29-21-8-6-18(7-9-21)5-4-14-30-22-10-11-23-20(17-22)16-19(24(25)28-2)12-15-31(23,26)27/h6-11,16-17H,3-5,12-15H2,1-2H3