dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-(2-methoxy-2-oxo-ethyl)-5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-5-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-methoxy-2-oxoethyl)-5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-5-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17N3O7S3 MolecularWeight: 495.54918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OC

InChI

InChI=1S/C19H17N3O7S3/c1-27-12(24)6-10-13(18(25)28-2)17(32-14(10)19(26)29-3)22-11(23)7-31-16-9-4-5-30-15(9)20-8-21-16/h4-5,8H,6-7H2,1-3H3,(H,22,23)