ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-3-26-15-9-10-16-17(11-15)23-20(22-16)28-12-18(24)21-14-7-5-13(6-8-14)19(25)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)