propan-2-yl 2-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C#N

InChI

InChI=1S/C21H24N4O3S2/c1-11(2)28-21(27)18-14-7-5-6-8-16(14)30-20(18)25-17(26)10-29-19-15(9-22)12(3)23-13(4)24-19/h11H,5-8,10H2,1-4H3,(H,25,26)