methyl 2-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3O3S/c1-4-9(2)14(15(22)23-3)20-13(21)8-24-16-18-11-6-5-10(17)7-12(11)19-16/h5-7,9,14H,4,8H2,1-3H3,(H,18,19)(H,20,21)