ethyl 4-cyano-3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-phenyl-2-(phenylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H20N2O3S2/c1-3-28-23(27)19-15(2)18(14-24)22(30-19)25-21(26)20(16-10-6-4-7-11-16)29-17-12-8-5-9-13-17/h4-13,20H,3H2,1-2H3,(H,25,26)