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

Systemtic Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenylcarbamoyl)-2-[[2-(2-pyridylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H21N3O4S2/c1-3-29-22(28)18-14(2)19(20(27)24-15-9-5-4-6-10-15)31-21(18)25-16(26)13-30-17-11-7-8-12-23-17/h4-12H,3,13H2,1-2H3,(H,24,27)(H,25,26)