3-[6-bromanyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[6-bromanyl-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)indol-1-yl]propionic acid Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CSCCN1C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H19BrN2O4S/c18-11-1-2-12-13(10-20(14(12)9-11)4-3-15(21)22)16(17(23)24)19-5-7-25-8-6-19/h1-2,9-10,16H,3-8H2,(H,21,22)(H,23,24)