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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)indoline-2-carboxylic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3CC2(CC4=CSC=N4)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3CC2(CC4=CSC=N4)C(=O)O)OC

InChI

InChI=1S/C25H26N2O4S/c1-24(2,3)19-10-9-16(11-21(19)31-4)22(28)27-20-8-6-5-7-17(20)12-25(27,23(29)30)13-18-14-32-15-26-18/h5-11,14-15H,12-13H2,1-4H3,(H,29,30)