3-ethyl-6-methylidene-5-[(4-nitrophenyl)methyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-ethyl-6-methylidene-5-[(4-nitrophenyl)methyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-ethyl-6-methylene-5-[(4-nitrophenyl)methyl]-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-ethyl-6-methylene-5-[(4-nitrophenyl)methyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-ethyl-6-methylidene-5-[(4-nitrophenyl)methyl]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-ethyl-6-methylene-5-(4-nitrobenzyl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(=S)C(=C)C2(S1)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(N2C(=S)C(=C)C2(S1)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O4S2/c1-3-12-13(15(19)20)17-14(23)9(2)16(17,24-12)8-10-4-6-11(7-5-10)18(21)22/h4-7H,2-3,8H2,1H3,(H,19,20)