(2-chloranylquinolin-3-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (2-chloro-3-quinolyl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14Cl2N2O3S/c22-18-14-6-2-4-8-16(14)29-19(18)21(27)24-10-17(26)28-11-13-9-12-5-1-3-7-15(12)25-20(13)23/h1-9H,10-11H2,(H,24,27)