methyl 5-methyl-4-phenyl-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-(2-pyridylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=CC=CC=N2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=CC=CC=N2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-13-17(14-8-4-3-5-9-14)18(20(24)25-2)19(27-13)22-15(23)12-26-16-10-6-7-11-21-16/h3-11H,12H2,1-2H3,(H,22,23)