methyl 3-[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(C)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CS[C@H](C)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O3S/c1-12-8-9-14(20(25)26-3)10-17(12)21-18(24)11-27-13(2)19-22-15-6-4-5-7-16(15)23-19/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1