7-azanyl-8-oxidanylidene-3-[(E)-[2-oxidanylidene-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-[2-oxidanylidene-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-[1-(1-allyloxycarbonylpyrrolidin-3-yl)-2-oxo-pyrrolidin-3-ylidene]methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[(E)-[2-oxo-1-[1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]-3-pyrrolidinylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(E)-[2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-[1-(1-allyloxycarbonylpyrrolidin-3-yl)-2-keto-pyrrolidin-3-ylidene]methyl]-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N4O6S MolecularWeight: 448.49276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCC(C1)N2CCC(=CC3=C(N4C(C(C4=O)N)SC3)C(=O)O)C2=O

Isomeric SMILES

C=CCOC(=O)N1CCC(C1)N2CC/C(=C\C3=C(N4C(C(C4=O)N)SC3)C(=O)O)/C2=O

InChI

InChI=1S/C20H24N4O6S/c1-2-7-30-20(29)22-5-4-13(9-22)23-6-3-11(16(23)25)8-12-10-31-18-14(21)17(26)24(18)15(12)19(27)28/h2,8,13-14,18H,1,3-7,9-10,21H2,(H,27,28)/b11-8+