ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(phenylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-3-22-17(21)15-11(2)13(9-18)16(24-15)19-14(20)10-23-12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3,(H,19,20)