ethyl 2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S2/c1-3-31-23(30)21-16-11-7-8-12-18(16)33-22(21)26-19(28)14-27-20(29)13-17(25-24(27)32-2)15-9-5-4-6-10-15/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H,26,28)