5-methoxy-1-phenyl-3-propan-2-ylsulfinyl-indole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-phenyl-3-propan-2-ylsulfinyl-indole-2-carboxylic acid Openeye Name: 3-isopropylsulfinyl-5-methoxy-1-phenyl-indole-2-carboxylic acid CAS Name: 5-methoxy-1-phenyl-3-propan-2-ylsulfinyl-2-indolecarboxylic acid IUPAC Name: 5-methoxy-1-phenyl-3-propan-2-ylsulfinylindole-2-carboxylic acid Traditional Name: 3-isopropylsulfinyl-5-methoxy-1-phenyl-indole-2-carboxylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4S/c1-12(2)25(23)18-15-11-14(24-3)9-10-16(15)20(17(18)19(21)22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,21,22)