(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[propanoyl(thiophen-2-ylcarbonyl)amino]-2-sulfanyl-ethanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[propanoyl(thiophen-2-ylcarbonyl)amino]-2-sulfanyl-ethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-[propanoyl(thiophene-2-carbonyl)amino]-2-sulfanyl-acetate CAS Name: 2-mercapto-2-[1-oxopropyl-[oxo(thiophen-2-yl)methyl]amino]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-[propanoyl(thiophene-2-carbonyl)amino]-2-sulfanylacetate Traditional Name: 2-mercapto-2-[propionyl(2-thenoyl)amino]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C(C(=O)OCC(=O)NC1=CC=CC=C1)S)C(=O)C2=CC=CS2

Isomeric SMILES

CCC(=O)N(C(C(=O)OCC(=O)NC1=CC=CC=C1)S)C(=O)C2=CC=CS2

InChI

InChI=1S/C18H18N2O5S2/c1-2-15(22)20(16(23)13-9-6-10-27-13)17(26)18(24)25-11-14(21)19-12-7-4-3-5-8-12/h3-10,17,26H,2,11H2,1H3,(H,19,21)