ethyl 5-phenyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

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