ethyl 5-[2-(2,4-dimethylphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2,4-dimethylphenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(2,4-dimethylphenyl)-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[2-(2,4-dimethylphenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=C(C=C(C=C2)C)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=C(C=C(C=C2)C)C)SC#N)C

InChI

InChI=1S/C19H20N2O3S2/c1-5-24-19(23)17-13(4)16(25-10-20)18(26-17)21-15(22)9-14-7-6-11(2)8-12(14)3/h6-8H,5,9H2,1-4H3,(H,21,22)