4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-tert-butylthiazol-2-yl)amino]-3-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 4-[(4-tert-butyl-2-thiazolyl)amino]-3-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-[(4-tert-butylthiazol-2-yl)amino]-3-(2-furfurylamino)-4-keto-butyric acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)C(CC(=O)O)NCC2=CC=CO2

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)C(CC(=O)O)NCC2=CC=CO2

InChI

InChI=1S/C16H21N3O4S/c1-16(2,3)12-9-24-15(18-12)19-14(22)11(7-13(20)21)17-8-10-5-4-6-23-10/h4-6,9,11,17H,7-8H2,1-3H3,(H,20,21)(H,18,19,22)