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

Systemtic Name: ethyl 6-methyl-2-[2-(4-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[4-methyl-2-(methylthio)-6-oxo-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-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[6-keto-4-methyl-2-(methylthio)pyrimidin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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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=C3SC)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C=C(N=C3SC)C

InChI

InChI=1S/C20H25N3O4S2/c1-5-27-19(26)17-13-7-6-11(2)8-14(13)29-18(17)22-15(24)10-23-16(25)9-12(3)21-20(23)28-4/h9,11H,5-8,10H2,1-4H3,(H,22,24)