2-[5-methoxy-2-methylsulfinyl-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methylsulfinyl-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-5-methoxy-2-methylsulfinyl-indol-3-yl)acetic acid CAS Name: 2-[5-methoxy-2-methylsulfinyl-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-5-methoxy-2-methylsulfinylindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-5-methoxy-2-methylsulfinyl-indol-3-yl)acetic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)S(=O)C)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)S(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c1-24-14-8-9-17-15(10-14)16(11-18(21)22)19(25(2)23)20(17)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,21,22)