3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)-1-(phenylmethyl)indole-5-carboxylic acid

Systemtic Name: 3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)-1-(phenylmethyl)indole-5-carboxylic acid Openeye Name: 1-benzyl-3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)indole-5-carboxylic acid CAS Name: 3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-(phenylmethyl)-5-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)indole-5-carboxylic acid Traditional Name: 1-benzyl-3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)indole-5-carboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CSCCN1C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N2O4S/c25-21(26)16-6-7-19-17(12-16)18(14-24(19)13-15-4-2-1-3-5-15)20(22(27)28)23-8-10-29-11-9-23/h1-7,12,14,20H,8-11,13H2,(H,25,26)(H,27,28)