methyl (2R)-2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C18H25N3O4S/c1-5-25-12-6-7-13-14(9-12)21-18(20-13)26-10-16(22)19-15(8-11(2)3)17(23)24-4/h6-7,9,11,15H,5,8,10H2,1-4H3,(H,19,22)(H,20,21)/t15-/m1/s1