ethyl 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H14ClN3O3S2/c1-3-24-16(23)13-7-9-6-10(4-5-12(9)26-13)20-15(22)14-11(18)8-19-17(21-14)25-2/h4-8H,3H2,1-2H3,(H,20,22)