[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H23NO4S2/c1-2-25-18-10-8-17(9-11-18)22-19(23)14-26-20(24)15-4-6-16(7-5-15)21-27-12-3-13-28-21/h4-11,21H,2-3,12-14H2,1H3,(H,22,23)