5-[2-(4-methylpiperazin-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[2-(4-methylpiperazin-1-yl)ethanoylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]benzothiophene-2-carboxylic acid CAS Name: 5-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[[2-(4-methylpiperazino)acetyl]amino]benzothiophene-2-carboxylic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-18-4-6-19(7-5-18)10-15(20)17-12-2-3-13-11(8-12)9-14(23-13)16(21)22/h2-3,8-9H,4-7,10H2,1H3,(H,17,20)(H,21,22)