ethyl 4-phenyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H17N3O3S3/c1-2-27-21(26)17-15(13-6-4-3-5-7-13)10-29-20(17)24-16(25)11-30-19-14-8-9-28-18(14)22-12-23-19/h3-10,12H,2,11H2,1H3,(H,24,25)