(E,2Z)-5-azanyl-2-[1-[(2-methanoyl-3,8a-dihydroindolizin-3-yl)amino]-2-oxidanyl-2-oxidanylidene-ethylidene]-5-oxidanylidene-pent-3-ene-1-sulfinate

Systemtic Name: (E,2Z)-5-azanyl-2-[1-[(2-methanoyl-3,8a-dihydroindolizin-3-yl)amino]-2-oxidanyl-2-oxidanylidene-ethylidene]-5-oxidanylidene-pent-3-ene-1-sulfinate Openeye Name: (E,2Z)-5-amino-2-[1-[(2-formyl-3,8a-dihydroindolizin-3-yl)amino]-2-hydroxy-2-oxo-ethylidene]-5-oxo-pent-3-ene-1-sulfinate CAS Name: (E,2Z)-5-amino-2-[1-[(2-formyl-3,8a-dihydroindolizin-3-yl)amino]-2-hydroxy-2-oxoethylidene]-5-oxo-3-pentene-1-sulfinate IUPAC Name: (E,2Z)-5-amino-2-[1-[(2-formyl-3,8a-dihydroindolizin-3-yl)amino]-2-hydroxy-2-oxoethylidene]-5-oxopent-3-ene-1-sulfinate Traditional Name: (E,2Z)-5-amino-2-[1-[(2-formyl-3,8a-dihydroindolizin-3-yl)amino]-2-hydroxy-2-keto-ethylidene]-5-keto-pent-3-ene-1-sulfinate Formula: C16H16N3O6S- MolecularWeight: 378.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C=C(C(N2C=C1)NC(=C(CS(=O)[O-])C=CC(=O)N)C(=O)O)C=O

Isomeric SMILES

C1=CC2C=C(C(N2C=C1)N/C(=C(\CS(=O)[O-])/C=C/C(=O)N)/C(=O)O)C=O

InChI

InChI=1S/C16H17N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,12,15,18H,9H2,(H2,17,21)(H,22,23)(H,24,25)/p-1/b5-4+,14-10-