2-azanyl-3-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[3-(4-cyanoanilino)-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[3-(4-cyanoanilino)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-amino-3-[3-(4-cyanoanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[3-(4-cyanoanilino)-3-keto-propyl]thio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCSCC(C(=O)O)N

InChI

InChI=1S/C13H15N3O3S/c14-7-9-1-3-10(4-2-9)16-12(17)5-6-20-8-11(15)13(18)19/h1-4,11H,5-6,8,15H2,(H,16,17)(H,18,19)