2-[2-[[cyano(thiophen-2-yl)methyl]carbamoylamino]-3H-thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[2-[[cyano(thiophen-2-yl)methyl]carbamoylamino]-3H-thiophen-2-yl]ethanoic acid Openeye Name: 2-[2-[[cyano(2-thienyl)methyl]carbamoylamino]-3H-thiophen-2-yl]acetic acid CAS Name: 2-[2-[[[[cyano(thiophen-2-yl)methyl]amino]-oxomethyl]amino]-3H-thiophen-2-yl]acetic acid IUPAC Name: 2-[2-[[cyano(thiophen-2-yl)methyl]carbamoylamino]-3H-thiophen-2-yl]acetic acid Traditional Name: 2-[2-[[cyano(2-thienyl)methyl]carbamoylamino]-3H-thiophen-2-yl]acetic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CSC1(CC(=O)O)NC(=O)NC(C#N)C2=CC=CS2

Isomeric SMILES

C1C=CSC1(CC(=O)O)NC(=O)NC(C#N)C2=CC=CS2

InChI

InChI=1S/C13H13N3O3S2/c14-8-9(10-3-1-5-20-10)15-12(19)16-13(7-11(17)18)4-2-6-21-13/h1-3,5-6,9H,4,7H2,(H,17,18)(H2,15,16,19)