methyl 4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C20H19N3O3S/c1-3-12-23-17-7-5-4-6-16(17)22-20(23)27-13-18(24)21-15-10-8-14(9-11-15)19(25)26-2/h3-11H,1,12-13H2,2H3,(H,21,24)