3-(3-ethoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-7-oxidanylidene-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-7-oxidanylidene-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(1-ethoxycarbonylvinylsulfanyl)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(3-ethoxy-3-oxoprop-1-en-2-yl)thio]-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(3-ethoxy-3-oxoprop-1-en-2-yl)sulfanyl-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(1-carbethoxyvinylthio)-7-keto-6-(1-sulfoxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H16NO9S2- MolecularWeight: 406.40814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)SC1=C(N2C(C1)C(C2=O)C(C)OS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C(=C)SC1=C(N2C(C1)C(C2=O)C(C)OS(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C14H17NO9S2/c1-4-23-14(19)7(3)25-9-5-8-10(6(2)24-26(20,21)22)12(16)15(8)11(9)13(17)18/h6,8,10H,3-5H2,1-2H3,(H,17,18)(H,20,21,22)/p-1