ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC=NC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC=NC(=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-3-27-21(26)19-16(15-7-5-4-6-8-15)12-29-20(19)24-17(25)9-10-28-18-11-14(2)22-13-23-18/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,25)