[1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(diethylamino)benzoate

Systemtic Name: [1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(diethylamino)benzoate Openeye Name: [1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H26N2O3S/c1-5-23(6-2)17-13-11-16(12-14-17)21(25)26-15(3)20(24)22-18-9-7-8-10-19(18)27-4/h7-15H,5-6H2,1-4H3,(H,22,24)