ethyl 4-(4-chlorophenyl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-[(6-methylpyrimidin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSC3=NC=NC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSC3=NC=NC(=C3)C

InChI

InChI=1S/C20H18ClN3O3S2/c1-3-27-20(26)18-15(13-4-6-14(21)7-5-13)9-29-19(18)24-16(25)10-28-17-8-12(2)22-11-23-17/h4-9,11H,3,10H2,1-2H3,(H,24,25)