methyl 3-[(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carbonyl]amino]benzoate CAS Name: 3-[[[4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carbonyl)amino]benzoate Traditional Name: 3-[[4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O3S2/c1-11-15(18(26-3)22-16(20-11)14-8-5-9-27-14)17(23)21-13-7-4-6-12(10-13)19(24)25-2/h4-10H,1-3H3,(H,21,23)