ethyl 4-cyano-5-[2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=C(C=C3)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=C(C=C3)OC)C#N)C

InChI

InChI=1S/C23H22N4O4S2/c1-5-31-22(29)20-14(3)17(11-24)21(33-20)27-19(28)12-32-23-25-13(2)10-18(26-23)15-6-8-16(30-4)9-7-15/h6-10H,5,12H2,1-4H3,(H,27,28)