5-methoxy-1-(phenylmethyl)-3-propan-2-ylsulfinyl-indole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-(phenylmethyl)-3-propan-2-ylsulfinyl-indole-2-carboxylic acid Openeye Name: 1-benzyl-3-isopropylsulfinyl-5-methoxy-indole-2-carboxylic acid CAS Name: 5-methoxy-1-(phenylmethyl)-3-propan-2-ylsulfinyl-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-methoxy-3-propan-2-ylsulfinylindole-2-carboxylic acid Traditional Name: 1-benzyl-3-isopropylsulfinyl-5-methoxy-indole-2-carboxylic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)C1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)S(=O)C1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-13(2)26(24)19-16-11-15(25-3)9-10-17(16)21(18(19)20(22)23)12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,22,23)