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

Systemtic Name: ethyl 2-[(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-propylsulfanyl-pyrimidine-4-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(propylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-propylsulfanylpyrimidine-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(propylthio)pyrimidine-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-3-10-29-21-23-11-15(22)17(24-21)18(26)25-19-16(20(27)28-4-2)14(12-30-19)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,25,26)