methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=O)C=C(N=C3SC)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=O)C=C(N=C3SC)C

InChI

InChI=1S/C19H23N3O4S2/c1-10-5-6-12-13(7-10)28-17(16(12)18(25)26-3)21-14(23)9-22-15(24)8-11(2)20-19(22)27-4/h8,10H,5-7,9H2,1-4H3,(H,21,23)