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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(p-anisidino)-1-phenyl-ethyl] ester Formula: C26H25NO4S2 MolecularWeight: 479.611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C26H25NO4S2/c1-30-22-14-12-21(13-15-22)27-24(28)23(18-6-3-2-4-7-18)31-25(29)19-8-10-20(11-9-19)26-32-16-5-17-33-26/h2-4,6-15,23,26H,5,16-17H2,1H3,(H,27,28)