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

Systemtic Name: methyl 6-azanyl-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoate Openeye Name: methyl 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoate CAS Name: 6-amino-2-[[(E)-3-(1-cyclohexa-2,4-dienyl)-1-sulfanylideneprop-2-enyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enethioyl]amino]hexanoate Traditional Name: 6-amino-2-[[(E)-3-cyclohexa-2,4-dien-1-ylthioacryloyl]amino]hexanoic acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=S)C=CC1CC=CC=C1

Isomeric SMILES

COC(=O)C(CCCCN)NC(=S)/C=C/C1CC=CC=C1

InChI

InChI=1S/C16H24N2O2S/c1-20-16(19)14(9-5-6-12-17)18-15(21)11-10-13-7-3-2-4-8-13/h2-4,7,10-11,13-14H,5-6,8-9,12,17H2,1H3,(H,18,21)/b11-10+