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

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)NC

InChI

InChI=1S/C18H22N4O4S/c1-12-16(17(19-2)27-21-12)18(24)26-11-15(23)20-13-3-5-14(6-4-13)22-7-9-25-10-8-22/h3-6,19H,7-11H2,1-2H3,(H,20,23)