3-(5-ethanoyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(5-ethanoyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(5-acetylthiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(5-acetyl-2-thiazolyl)-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(5-acetyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(5-acetylthiazol-2-yl)-1-m-anisyl-indole-2-carboxylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(S1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC)C(=O)O

Isomeric SMILES

CC(=O)C1=CN=C(S1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-13(25)18-11-23-21(29-18)19-16-8-3-4-9-17(16)24(20(19)22(26)27)12-14-6-5-7-15(10-14)28-2/h3-11H,12H2,1-2H3,(H,26,27)