ethyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H13ClN4O3S2 MolecularWeight: 408.88242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H13ClN4O3S2/c1-3-24-14(23)8-4-5-10-11(6-8)26-16(19-10)21-13(22)12-9(17)7-18-15(20-12)25-2/h4-7H,3H2,1-2H3,(H,19,21,22)