methyl (2R)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-13-8-9-15-16(10-13)23-20(22-15)27-12-18(24)21-17(19(25)26-2)11-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1