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

Systemtic Name: methyl (2R)-2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-3-28-15-9-10-16-17(12-15)24-21(23-16)29-13-19(25)22-18(20(26)27-2)11-14-7-5-4-6-8-14/h4-10,12,18H,3,11,13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1