ethyl 4-cyano-3-methyl-5-[2-(3-methylphenyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(3-methylphenyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(m-tolyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(3-methylphenyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(3-methylphenyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(m-tolyl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-4-23-18(22)16-12(3)14(10-19)17(24-16)20-15(21)9-13-7-5-6-11(2)8-13/h5-8H,4,9H2,1-3H3,(H,20,21)