2-[2-[(3-methoxy-2-propoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-methoxy-2-propoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(3-methoxy-2-propoxy-phenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(3-methoxy-2-propoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(3-methoxy-2-propoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-keto-2-[(3-methoxy-2-propoxy-benzyl)amino]ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)CNC(=O)CC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)CNC(=O)CC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C18H22N2O5S/c1-4-8-25-16-12(6-5-7-13(16)24-3)10-19-14(21)9-15-20-11(2)17(26-15)18(22)23/h5-7H,4,8-10H2,1-3H3,(H,19,21)(H,22,23)