ethyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-chlorobenzothiophene-2-carbonyl)-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H19ClN2O3S MolecularWeight: 450.93726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H19ClN2O3S/c1-2-30-24(29)17-9-11-18(12-10-17)27(15-16-6-5-13-26-14-16)23(28)22-21(25)19-7-3-4-8-20(19)31-22/h3-14H,2,15H2,1H3