dimethyl 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]-3-(2-methoxy-2-oxo-ethyl)thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]-3-(2-keto-2-methoxy-ethyl)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)CC(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)CC(=O)OC)C(=O)OC)C

InChI

InChI=1S/C21H21N3O7S2/c1-10-6-11(2)23-18(13(10)8-22)32-9-14(25)24-19-16(20(27)30-4)12(7-15(26)29-3)17(33-19)21(28)31-5/h6H,7,9H2,1-5H3,(H,24,25)