(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-acetamido-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-acetamido-4-thiophen-2-yl-3-thiophenecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-acetamido-4-(2-thienyl)thiophene-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C17H15N3O4S2/c1-9(19)11(6-18)13(22)7-24-17(23)15-12(14-4-3-5-25-14)8-26-16(15)20-10(2)21/h3-5,8,11,19H,7H2,1-2H3,(H,20,21)