(2-oxidanyl-3-sulfooxy-propyl) (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: (2-oxidanyl-3-sulfooxy-propyl) (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indole-1-carboxylate Openeye Name: (2-hydroxy-3-sulfooxy-propyl) (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-oxo-indoline-1-carboxylate CAS Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1-indolecarboxylic acid (2-hydroxy-3-sulfooxypropyl) ester IUPAC Name: (2-hydroxy-3-sulfooxypropyl) (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carboxylate Traditional Name: (3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-keto-indoline-1-carboxylic acid (2-hydroxy-3-sulfoxy-propyl) ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=C2C3=CC=CC=C3N(C2=O)C(=O)OCC(COS(=O)(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(N1)/C=C/2\C3=CC=CC=C3N(C2=O)C(=O)OCC(COS(=O)(=O)O)O)C

InChI

InChI=1S/C19H20N2O8S/c1-11-7-12(2)20-16(11)8-15-14-5-3-4-6-17(14)21(18(15)23)19(24)28-9-13(22)10-29-30(25,26)27/h3-8,13,20,22H,9-10H2,1-2H3,(H,25,26,27)/b15-8+