3,3-dimethyl-6-[(4-nitrophenyl)carbamothioylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[(4-nitrophenyl)carbamothioylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[(4-nitrophenyl)carbamothioylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[(4-nitrophenyl)carbamothioylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(4-nitrophenyl)thiocarbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C15H16N4O5S2 MolecularWeight: 396.44134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H16N4O5S2/c1-15(2)10(13(21)22)18-11(20)9(12(18)26-15)17-14(25)16-7-3-5-8(6-4-7)19(23)24/h3-6,9-10,12H,1-2H3,(H,21,22)(H2,16,17,25)