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

Systemtic Name: methyl 2-[(4-chloranyl-2-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2-methylsulfanyl-pyrimidine-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-chloro-2-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-chloro-2-(methylthio)pyrimidine-5-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN=C(N=C3Cl)SC

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN=C(N=C3Cl)SC

InChI

InChI=1S/C16H16ClN3O3S2/c1-23-15(22)11-8-5-3-4-6-10(8)25-14(11)20-13(21)9-7-18-16(24-2)19-12(9)17/h7H,3-6H2,1-2H3,(H,20,21)