5-[[4-[(E)-C-methyl-N-(2-thiophen-2-ylethanoylamino)carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[(E)-C-methyl-N-(2-thiophen-2-ylethanoylamino)carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(E)-C-methyl-N-[[2-(2-thienyl)acetyl]amino]carbonimidoyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-oxo-5-[4-[(1E)-1-[(1-oxo-2-thiophen-2-ylethyl)hydrazinylidene]ethyl]anilino]pentanoic acid IUPAC Name: 5-[4-[(E)-C-methyl-N-[(2-thiophen-2-ylacetyl)amino]carbonimidoyl]anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[(E)-C-methyl-N-[[2-(2-thienyl)acetyl]amino]carbonimidoyl]anilino]valeric acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC1=CC=CS1)C2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

C/C(=N\NC(=O)CC1=CC=CS1)/C2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C19H21N3O4S/c1-13(21-22-18(24)12-16-4-3-11-27-16)14-7-9-15(10-8-14)20-17(23)5-2-6-19(25)26/h3-4,7-11H,2,5-6,12H2,1H3,(H,20,23)(H,22,24)(H,25,26)/b21-13+