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

Systemtic Name: methyl 4-[[(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[[4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O3S2/c1-12-16(19(27-3)23-17(22-12)15-5-4-10-28-15)18(24)21-11-13-6-8-14(9-7-13)20(25)26-2/h4-10H,11H2,1-3H3,(H,21,24)