6-azanyl-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(E)-3-(1-cyclohexa-2,4-dienyl)-1-sulfanylideneprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylthioacryloyl]amino]hexanoic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1C=CC(=S)NC(CCCCN)C(=O)O

Isomeric SMILES

C1C=CC=CC1/C=C/C(=S)NC(CCCCN)C(=O)O

InChI

InChI=1S/C15H22N2O2S/c16-11-5-4-8-13(15(18)19)17-14(20)10-9-12-6-2-1-3-7-12/h1-3,6,9-10,12-13H,4-5,7-8,11,16H2,(H,17,20)(H,18,19)/b10-9+