[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C(SN=C2C)N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C(SN=C2C)N

InChI

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