[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(SN=C2C)NC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(SN=C2C)NC

InChI

InChI=1S/C19H25N3O3S/c1-6-11(2)14-9-7-8-10-15(14)21-17(23)13(4)25-19(24)16-12(3)22-26-18(16)20-5/h7-11,13,20H,6H2,1-5H3,(H,21,23)