3-[2-azanyl-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]propanoate

Systemtic Name: 3-[2-azanyl-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]propanoate Openeye Name: 3-[2-amino-4-(4-tert-butylphenyl)thiazol-5-yl]propanoate CAS Name: 3-[2-amino-4-(4-tert-butylphenyl)-5-thiazolyl]propanoate IUPAC Name: 3-[2-amino-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]propanoate Traditional Name: 3-[2-amino-4-(4-tert-butylphenyl)thiazol-5-yl]propionate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=N2)N)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(SC(=N2)N)CCC(=O)[O-]

InChI

InChI=1S/C16H20N2O2S/c1-16(2,3)11-6-4-10(5-7-11)14-12(8-9-13(19)20)21-15(17)18-14/h4-7H,8-9H2,1-3H3,(H2,17,18)(H,19,20)/p-1