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

Systemtic Name: methyl 2-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-allylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(prop-2-enylthio)-4-pyrimidinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(allylthio)-5-chloro-pyrimidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

InChI=1S/C17H16ClN3O3S2/c1-3-7-25-17-19-8-10(18)13(20-17)14(22)21-15-12(16(23)24-2)9-5-4-6-11(9)26-15/h3,8H,1,4-7H2,2H3,(H,21,22)