[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C19H18N2O4S2/c1-12-9-14(26-11-20)4-5-15(12)21-18(23)10-25-19(24)8-6-16(22)17-7-3-13(2)27-17/h3-5,7,9H,6,8,10H2,1-2H3,(H,21,23)