1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-5-(1,3-thiazol-2-yl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-5-(1,3-thiazol-2-yl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-thiazol-2-yl-indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-5-(2-thiazolyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-5-(1,3-thiazol-2-yl)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-thiazol-2-yl-indoline-2-carboxylic acid Formula: C31H30N2O4S MolecularWeight: 526.6459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)C5=NC=CS5)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)C5=NC=CS5)OC

InChI

InChI=1S/C31H30N2O4S/c1-30(2,3)24-12-10-22(17-26(24)37-4)28(34)33-25-13-11-21(27-32-14-15-38-27)16-23(25)19-31(33,29(35)36)18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3,(H,35,36)