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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C(C)(C)C)NC

InChI

InChI=1S/C18H23N3O3S/c1-11-15(16(19-5)25-21-11)17(23)24-10-14(22)20-13-8-6-12(7-9-13)18(2,3)4/h6-9,19H,10H2,1-5H3,(H,20,22)