methyl 4-(4-methylphenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CC(=N3)C

InChI

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