2-[(E)-3-oxidanyl-3-oxidanylidene-2-(2-thiophen-2-ylethanoylamino)prop-1-enyl]imino-3-(sulfanylmethyl)but-3-enoic acid

Systemtic Name: 2-[(E)-3-oxidanyl-3-oxidanylidene-2-(2-thiophen-2-ylethanoylamino)prop-1-enyl]imino-3-(sulfanylmethyl)but-3-enoic acid Openeye Name: 2-[(E)-3-hydroxy-3-oxo-2-[[2-(2-thienyl)acetyl]amino]prop-1-enyl]imino-3-(sulfanylmethyl)but-3-enoic acid CAS Name: 2-[(E)-3-hydroxy-3-oxo-2-[(1-oxo-2-thiophen-2-ylethyl)amino]prop-1-enyl]imino-3-(mercaptomethyl)-3-butenoic acid IUPAC Name: 2-[(E)-3-hydroxy-3-oxo-2-[(2-thiophen-2-ylacetyl)amino]prop-1-enyl]imino-3-(sulfanylmethyl)but-3-enoic acid Traditional Name: 2-[(E)-3-hydroxy-3-keto-2-[[2-(2-thienyl)acetyl]amino]prop-1-enyl]imino-3-(mercaptomethyl)but-3-enoic acid Formula: C14H14N2O5S2 MolecularWeight: 354.40136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CS)C(=NC=C(C(=O)O)NC(=O)CC1=CC=CS1)C(=O)O

Isomeric SMILES

C=C(CS)C(=N/C=C(\C(=O)O)/NC(=O)CC1=CC=CS1)C(=O)O

InChI

InChI=1S/C14H14N2O5S2/c1-8(7-22)12(14(20)21)15-6-10(13(18)19)16-11(17)5-9-3-2-4-23-9/h2-4,6,22H,1,5,7H2,(H,16,17)(H,18,19)(H,20,21)/b10-6+,15-12?