(2S)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentanoic acid

Systemtic Name: (2S)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]pentanoic acid Openeye Name: (2S)-2-[3-[(4-methylbenzothiophen-3-yl)methyl]-2-oxo-benzimidazol-1-yl]pentanoic acid CAS Name: (2S)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-1-benzimidazolyl]pentanoic acid IUPAC Name: (2S)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]pentanoic acid Traditional Name: (2S)-2-[2-keto-3-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-yl]valeric acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

Isomeric SMILES

CCC[C@@H](C(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CSC4=CC=CC(=C43)C

InChI

InChI=1S/C22H22N2O3S/c1-3-7-18(21(25)26)24-17-10-5-4-9-16(17)23(22(24)27)12-15-13-28-19-11-6-8-14(2)20(15)19/h4-6,8-11,13,18H,3,7,12H2,1-2H3,(H,25,26)/t18-/m0/s1