1-methyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indole-6-carboxylic acid Openeye Name: 3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)-1-methyl-indole-6-carboxylic acid CAS Name: 3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-methylindole-6-carboxylic acid Traditional Name: 3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)-1-methyl-indole-6-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCSCC3

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCSCC3

InChI

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