1-benzothiophene-2-carboxylic acid; (2S)-2,6-bis(azanyl)hexanoic acid

Systemtic Name: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-bis(azanyl)hexanoic acid Openeye Name: benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid CAS Name: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: 1-benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: benzothiophene-2-carboxylic acid; (2S)-2,6-diaminohexanoic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H6O2S.C6H14N2O2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;7-4-2-1-3-5(8)6(9)10/h1-5H,(H,10,11);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1