ethyl 2-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(2-allylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[5-chloro-2-(prop-2-enylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(allylthio)-5-chloro-pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18ClN3O4S2 MolecularWeight: 439.93622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C18H18ClN3O4S2/c1-5-7-27-18-20-8-11(19)13(21-18)15(24)22-16-12(17(25)26-6-2)9(3)14(28-16)10(4)23/h5,8H,1,6-7H2,2-4H3,(H,22,24)