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

Systemtic Name: propan-2-yl 4-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-4-13-25-19-8-6-5-7-18(19)24-22(25)29-14-20(26)23-17-11-9-16(10-12-17)21(27)28-15(2)3/h4-12,15H,1,13-14H2,2-3H3,(H,23,26)