(2S)-2-benzamido-3-[(Z,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-2-yl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-benzamido-3-[(Z,5S)-1-ethoxy-5-oxidanyl-1-oxidanylidene-hex-2-en-2-yl]sulfanyl-propanoic acid Openeye Name: (2S)-2-benzamido-3-[(Z,4S)-1-ethoxycarbonyl-4-hydroxy-pent-1-enyl]sulfanyl-propanoic acid CAS Name: (2S)-2-benzamido-3-[[(Z,5S)-1-ethoxy-5-hydroxy-1-oxohex-2-en-2-yl]thio]propanoic acid IUPAC Name: (2S)-2-benzamido-3-[(Z,5S)-1-ethoxy-5-hydroxy-1-oxohex-2-en-2-yl]sulfanylpropanoic acid Traditional Name: (2S)-2-benzamido-3-[[(Z,4S)-1-carbethoxy-4-hydroxy-pent-1-enyl]thio]propionic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C)O)SCC(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C/C[C@H](C)O)/SC[C@H](C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H23NO6S/c1-3-25-18(24)15(10-9-12(2)20)26-11-14(17(22)23)19-16(21)13-7-5-4-6-8-13/h4-8,10,12,14,20H,3,9,11H2,1-2H3,(H,19,21)(H,22,23)/b15-10-/t12-,14+/m0/s1