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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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