5-tert-butyl-3-[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[2-[(4-methoxybenzoyl)amino]-3-methyl-butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-tert-butyl-3-[2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-tert-butyl-3-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[3-methyl-2-(p-anisoylamino)butanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3O5S/c1-11(2)14(21-15(24)12-7-9-13(28-6)10-8-12)16(25)23-17(18(26)27)29-19(22-23)20(3,4)5/h7-11,14,17H,1-6H3,(H,21,24)(H,26,27)