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

Systemtic Name: ethyl 6-methyl-2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-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 6-methyl-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]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O4S2/c1-4-34-26(33)24-20-11-10-17(2)14-21(20)36-25(24)29-22(31)16-30-23(32)15-18(3)28-27(30)35-13-12-19-8-6-5-7-9-19/h5-9,15,17H,4,10-14,16H2,1-3H3,(H,29,31)