quinolin-8-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: quinolin-8-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: 8-quinolylmethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid 8-quinolylmethyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C21H15ClN2O3S/c22-18-15-8-1-2-9-16(15)28-20(18)21(26)24-11-17(25)27-12-14-6-3-5-13-7-4-10-23-19(13)14/h1-10H,11-12H2,(H,24,26)