3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[2-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[2-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[2-(4-methylpiperazino)phenyl]-2-thenoic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C2=CC=CC=C2N3CCN(CC3)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)C2=CC=CC=C2N3CCN(CC3)C)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c1-12-11-15(22-16(12)17(20)21)13-5-3-4-6-14(13)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,20,21)