ethyl 5-[2-(2-aminophenyl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-aminophenyl)sulfanylethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-aminophenyl)sulfanylacetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(2-aminophenyl)thio]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-aminophenyl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(2-aminophenyl)thio]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2N)C#N)C

InChI

InChI=1S/C17H17N3O3S2/c1-3-23-17(22)15-10(2)11(8-18)16(25-15)20-14(21)9-24-13-7-5-4-6-12(13)19/h4-7H,3,9,19H2,1-2H3,(H,20,21)