(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-benzothiophene-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-benzothiophene-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H14ClNO2S2 MolecularWeight: 399.91366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=CC=CC=C4S3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H14ClNO2S2/c1-25-15-7-6-12-8-14(19(21)22-16(12)10-15)11-24-20(23)18-9-13-4-2-3-5-17(13)26-18/h2-10H,11H2,1H3