2-[2-[(4-tert-butylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[(4-tert-butylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(4-tert-butylphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(4-tert-butylphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(4-tert-butylphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4-tert-butylbenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-11-16(17(22)23)24-15(20-11)9-14(21)19-10-12-5-7-13(8-6-12)18(2,3)4/h5-8H,9-10H2,1-4H3,(H,19,21)(H,22,23)/p-1