[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C21H23N3O3S/c1-4-24(5-2)17-8-6-16(7-9-17)21(26)27-13-20(25)23-19-11-10-18(28-14-22)12-15(19)3/h6-12H,4-5,13H2,1-3H3,(H,23,25)