7-oxidanylidene-6-(1-oxidanylpropyl)-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 7-oxidanylidene-6-(1-oxidanylpropyl)-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxypropyl)-7-oxo-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxypropyl)-7-oxo-3-[(1-phenyl-3-pyrrolidinyl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxypropyl)-7-oxo-3-(1-phenylpyrrolidin-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxypropyl)-7-keto-3-[(1-phenylpyrrolidin-3-yl)thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H21N2O4S2- MolecularWeight: 405.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C4=CC=CC=C4)C(=O)[O-])O

Isomeric SMILES

CCC(C1C2N(C1=O)C(=C(S2)SC3CCN(C3)C4=CC=CC=C4)C(=O)[O-])O

InChI

InChI=1S/C19H22N2O4S2/c1-2-13(22)14-16(23)21-15(18(24)25)19(27-17(14)21)26-12-8-9-20(10-12)11-6-4-3-5-7-11/h3-7,12-14,17,22H,2,8-10H2,1H3,(H,24,25)/p-1