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

Systemtic Name: 2-[3-bromanyl-4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCCN(C)C)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCCN(C)C)Br)C(=O)O

InChI

InChI=1S/C16H19BrN2O3S/c1-10-14(16(20)21)23-15(18-10)11-5-6-13(12(17)9-11)22-8-4-7-19(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,20,21)