ethyl 4,5-dimethyl-2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O4S2/c1-5-30-22(29)20-15(3)16(4)32-21(20)25-18(27)12-26-19(28)11-14(2)24-23(26)31-13-17-9-7-6-8-10-17/h6-11H,5,12-13H2,1-4H3,(H,25,27)