methyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Cl

InChI

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