ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate; pyridine

Systemtic Name: ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate; pyridine Openeye Name: ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate; pyridine CAS Name: 1,4-dimethyl-5-sulfooxy-2-indolecarboxylic acid ethyl ester; pyridine IUPAC Name: ethyl 1,4-dimethyl-5-sulfooxyindole-2-carboxylate; pyridine Traditional Name: 1,4-dimethyl-5-sulfoxy-indole-2-carboxylic acid ethyl ester; pyridine Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2C)OS(=O)(=O)O.C1=CC=NC=C1

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2C)OS(=O)(=O)O.C1=CC=NC=C1

InChI

InChI=1S/C13H15NO6S.C5H5N/c1-4-19-13(15)11-7-9-8(2)12(20-21(16,17)18)6-5-10(9)14(11)3;1-2-4-6-5-3-1/h5-7H,4H2,1-3H3,(H,16,17,18);1-5H