3-[[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[(2-amino-2-oxo-ethyl)-methyl-amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(2-amino-2-keto-ethyl)-methyl-amino]methyl]benzothiophene-2-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(SC2=CC=CC=C21)C(=O)O)CC(=O)N

Isomeric SMILES

CN(CC1=C(SC2=CC=CC=C21)C(=O)O)CC(=O)N

InChI

InChI=1S/C13H14N2O3S/c1-15(7-11(14)16)6-9-8-4-2-3-5-10(8)19-12(9)13(17)18/h2-5H,6-7H2,1H3,(H2,14,16)(H,17,18)