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

Systemtic Name: ethyl 4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-3-13-24-18-8-6-5-7-17(18)23-21(24)28-14-19(25)22-16-11-9-15(10-12-16)20(26)27-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,22,25)