(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O4S2/c1-24-11-3-2-9-6-10(15(17)18-12(9)7-11)8-23-16(20)13-4-5-14(25-13)19(21)22/h2-7H,8H2,1H3