[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl] 7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: [(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl] 7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: [(E)-3-(dimethylamino)-3-oxo-prop-1-enyl] 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [(E)-3-(dimethylamino)-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-(dimethylamino)-3-oxoprop-1-enyl] 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [(E)-3-(dimethylamino)-3-keto-prop-1-enyl] ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C=COC(=O)C1=CCC2N1C(=O)C2SC3CCNC3

Isomeric SMILES

CN(C)C(=O)/C=C/OC(=O)C1=CCC2N1C(=O)C2SC3CCNC3

InChI

InChI=1S/C16H21N3O4S/c1-18(2)13(20)6-8-23-16(22)12-4-3-11-14(15(21)19(11)12)24-10-5-7-17-9-10/h4,6,8,10-11,14,17H,3,5,7,9H2,1-2H3/b8-6+