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

Systemtic Name: methyl 2-[[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanyl-5-chloropyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)-5-chloro-pyrimidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H20ClN3O3S2 MolecularWeight: 473.9955

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3S2/c1-29-21(28)17-14-9-5-6-10-16(14)31-20(17)26-19(27)18-15(23)11-24-22(25-18)30-12-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,26,27)