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

Systemtic Name: ethyl 2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4S2/c1-3-33-25(32)23-19-11-7-8-12-20(19)35-24(23)28-21(30)16-29-22(31)15-17(2)27-26(29)34-14-13-18-9-5-4-6-10-18/h4-6,9-10,15H,3,7-8,11-14,16H2,1-2H3,(H,28,30)