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

Systemtic Name: ethyl 5-ethyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

InChI

InChI=1S/C17H17N3O3S3/c1-3-10-7-12(17(22)23-4-2)16(26-10)20-13(21)8-25-15-11-5-6-24-14(11)18-9-19-15/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)