3-(3,4-dimethoxyphenyl)-4-(propylamino)-1,2-thiazole-5-carboxylic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(propylamino)-1,2-thiazole-5-carboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(propylamino)isothiazole-5-carboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)-4-(propylamino)-5-isothiazolecarboxylic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-(propylamino)-1,2-thiazole-5-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(propylamino)isothiazole-5-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(SN=C1C2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CCCNC1=C(SN=C1C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-4-7-16-13-12(17-22-14(13)15(18)19)9-5-6-10(20-2)11(8-9)21-3/h5-6,8,16H,4,7H2,1-3H3,(H,18,19)