methyl 4-methyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H15N3O3S2/c1-10-3-4-11(17(22)23-2)7-13(10)20-14(21)8-25-16-12-5-6-24-15(12)18-9-19-16/h3-7,9H,8H2,1-2H3,(H,20,21)