[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-12-17(18(20-3)27-22-12)19(25)26-11-16(24)15-8-6-14(7-9-15)5-4-10-21-13(2)23/h6-9,20H,4-5,10-11H2,1-3H3,(H,21,23)