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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-10-14(15(18)24-20-10)16(22)23-9-13(21)19-12-7-5-11(6-8-12)17(2,3)4/h5-8H,9,18H2,1-4H3,(H,19,21)