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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18N2O3S2/c1-14-17(13-23)21(29-18(14)22(26)27-2)24-20(25)19(15-9-5-3-6-10-15)28-16-11-7-4-8-12-16/h3-12,19H,1-2H3,(H,24,25)