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

Systemtic Name: methyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18ClN3O3S2 MolecularWeight: 411.92612

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

InChI

InChI=1S/C17H18ClN3O3S2/c1-3-25-17-19-8-10(18)13(20-17)14(22)21-15-12(16(23)24-2)9-6-4-5-7-11(9)26-15/h8H,3-7H2,1-2H3,(H,21,22)