6-(1-phenacylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-phenacylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-phenacylpyrrolidin-3-yl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-phenacyl-3-pyrrolidinyl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-phenacylpyrrolidin-3-yl)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-phenacylpyrrolidin-3-yl)-7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2C3N(C2=S)C(=CS3)C(=O)O)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1C2C3N(C2=S)C(=CS3)C(=O)O)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N2O3S2/c21-14(11-4-2-1-3-5-11)9-19-7-6-12(8-19)15-16(24)20-13(18(22)23)10-25-17(15)20/h1-5,10,12,15,17H,6-9H2,(H,22,23)