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

Systemtic Name: methyl 1,1-bis(oxidanylidene)-7-(4-propoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 1,1-dioxo-7-(4-propoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1-dioxo-7-(4-propoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 1,1-dioxo-7-(4-propoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-(4-propoxyphenyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-3-11-26-19-7-4-15(5-8-19)16-6-9-20-18(13-16)14-17(21(22)25-2)10-12-27(20,23)24/h4-9,13-14H,3,10-12H2,1-2H3