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

Systemtic Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(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)C(C)SC3=NC=NC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC=NC(=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-4-27-21(26)18-16(15-8-6-5-7-9-15)11-28-20(18)24-19(25)14(3)29-17-10-13(2)22-12-23-17/h5-12,14H,4H2,1-3H3,(H,24,25)