ethyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SCC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NC(=NC=C3Cl)SCC

InChI

InChI=1S/C20H18ClN3O3S2/c1-3-27-19(26)15-13(12-8-6-5-7-9-12)11-29-18(15)24-17(25)16-14(21)10-22-20(23-16)28-4-2/h5-11H,3-4H2,1-2H3,(H,24,25)