3-[8-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[8-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-hydroxy-8-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)carbamoyl]-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-hydroxy-8-methyl-3-[[(6-methyl-1H-benzimidazol-2-yl)amino]-oxomethyl]-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-hydroxy-8-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-8-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)carbamoyl]-1-naphthyl]thio]propionic acid Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=CC(=C4C(=CC=CC4=C3O)C)SCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)NC(=O)C3=CC(=C4C(=CC=CC4=C3O)C)SCCC(=O)O

InChI

InChI=1S/C23H21N3O4S/c1-12-6-7-16-17(10-12)25-23(24-16)26-22(30)15-11-18(31-9-8-19(27)28)20-13(2)4-3-5-14(20)21(15)29/h3-7,10-11,29H,8-9H2,1-2H3,(H,27,28)(H2,24,25,26,30)