2-[2-[2-cyanoethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[2-cyanoethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[2-cyanoethyl(2-thienylmethyl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[2-cyanoethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[2-cyanoethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[2-cyanoethyl(2-thenyl)amino]-2-keto-ethyl]thio]acetic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN(CCC#N)C(=O)CSCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CN(CCC#N)C(=O)CSCC(=O)O

InChI

InChI=1S/C12H14N2O3S2/c13-4-2-5-14(7-10-3-1-6-19-10)11(15)8-18-9-12(16)17/h1,3,6H,2,5,7-9H2,(H,16,17)