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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CSCCN1C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

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