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

Systemtic Name: ethyl 2-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-isopropylsulfanyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(propan-2-ylthio)-4-pyrimidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(isopropylthio)pyrimidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)SC(C)C

InChI

InChI=1S/C19H22ClN3O3S2/c1-4-26-18(25)14-11-7-5-6-8-13(11)28-17(14)23-16(24)15-12(20)9-21-19(22-15)27-10(2)3/h9-10H,4-8H2,1-3H3,(H,23,24)