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

Systemtic Name: methyl 2-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-26-18(25)16(9-12-5-3-2-4-6-12)21-17(24)11-27-19-22-14-8-7-13(20)10-15(14)23-19/h2-8,10,16H,9,11H2,1H3,(H,21,24)(H,22,23)