6-[[2-[[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]amino]-2-thiophen-2-yl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-[[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]amino]-2-thiophen-2-yl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[[2-(cyanomethylamino)-2-oxo-acetyl]amino]-2-(2-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[[2-(cyanomethylamino)-1,2-dioxoethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[[2-(cyanomethylamino)-2-oxoacetyl]amino]-2-thiophen-2-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[[2-(cyanomethylamino)-2-keto-acetyl]amino]-2-(2-thienyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H19N5O6S2 MolecularWeight: 465.50336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)NC(=O)C(=O)NCC#N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)NC(=O)C(=O)NCC#N)C(=O)O)C

InChI

InChI=1S/C18H19N5O6S2/c1-18(2)11(17(28)29)23-15(27)10(16(23)31-18)22-12(24)9(8-4-3-7-30-8)21-14(26)13(25)20-6-5-19/h3-4,7,9-11,16H,6H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)(H,28,29)