methyl 4-methyl-3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H21N3O3S/c1-4-11-24-18-8-6-5-7-16(18)23-21(24)28-13-19(25)22-17-12-15(20(26)27-3)10-9-14(17)2/h4-10,12H,1,11,13H2,2-3H3,(H,22,25)