1-methyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indole-2-carboxylic acid Openeye Name: 3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)-1-methyl-indole-2-carboxylic acid CAS Name: 3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-methylindole-2-carboxylic acid Traditional Name: 3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)-1-methyl-indole-2-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCSCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCSCC3

InChI

InChI=1S/C16H18N2O4S/c1-17-11-5-3-2-4-10(11)12(13(17)15(19)20)14(16(21)22)18-6-8-23-9-7-18/h2-5,14H,6-9H2,1H3,(H,19,20)(H,21,22)