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

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

CCCC1=CC=C(C=C1)OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

InChI

InChI=1S/C21H22O5S/c1-3-4-15-5-7-18(8-6-15)26-19-9-10-20-17(14-19)13-16(21(22)25-2)11-12-27(20,23)24/h5-10,13-14H,3-4,11-12H2,1-2H3