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

Systemtic Name: 2-[2-[(4-butoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(4-butoxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(4-butoxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C18H21N2O4S- MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C18H22N2O4S/c1-3-4-9-24-14-7-5-13(6-8-14)11-19-15(21)10-16-20-12(2)17(25-16)18(22)23/h5-8H,3-4,9-11H2,1-2H3,(H,19,21)(H,22,23)/p-1