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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(1,3-thiazol-2-ylcarbamoyl)-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(thiazol-2-ylcarbamoyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-[oxo-(2-thiazolylamino)methyl]-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-(1,3-thiazol-2-ylcarbamoyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(thiazol-2-ylcarbamoyl)indoline-2-carboxylic acid Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)NC4=NC=CS4)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)NC4=NC=CS4)C(=O)O

InChI

InChI=1S/C29H33N3O5S/c1-17(2)15-29(26(35)36)16-20-19(24(33)31-27-30-12-13-38-27)8-7-9-22(20)32(29)25(34)18-10-11-21(28(3,4)5)23(14-18)37-6/h7-14,17H,15-16H2,1-6H3,(H,35,36)(H,30,31,33)