ethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[(4-acetamidophenyl)thio]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[(4-acetamidophenyl)thio]methyl]-5-amino-4-cyano-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)N)C#N)CSC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)NC(=O)C

InChI

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