methyl 3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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