2-[3-chloranyl-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-chloro-4-[3-(dimethylamino)propoxy]-5-methoxy-phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C(=C2)Cl)OCCCN(C)C)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C(=C2)Cl)OCCCN(C)C)OC)C(=O)O

InChI

InChI=1S/C17H21ClN2O4S/c1-10-15(17(21)22)25-16(19-10)11-8-12(18)14(13(9-11)23-4)24-7-5-6-20(2)3/h8-9H,5-7H2,1-4H3,(H,21,22)