3-[3-(methoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[3-(methoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[3-(methoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]indole-2-carboxylic acid CAS Name: 3-[3-(methoxymethyl)-2-(phenylthio)-4-imidazolyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[3-(methoxymethyl)-2-phenylsulfanylimidazol-4-yl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[3-(methoxymethyl)-2-(phenylthio)imidazol-4-yl]indole-2-carboxylic acid Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C(=CN=C1SC2=CC=CC=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COCN1C(=CN=C1SC2=CC=CC=C2)C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H23N3O3S/c1-33-18-30-23(16-28-27(30)34-20-12-6-3-7-13-20)24-21-14-8-9-15-22(21)29(25(24)26(31)32)17-19-10-4-2-5-11-19/h2-16H,17-18H2,1H3,(H,31,32)