2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-thiomorpholino-acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-thiomorpholin-4-ylacetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-thiomorpholin-4-ylacetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-thiomorpholino-acetic acid Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O4S/c17-10-1-2-13-11(7-10)12(8-19(13)9-14(20)21)15(16(22)23)18-3-5-24-6-4-18/h1-2,7-8,15H,3-6,9H2,(H,20,21)(H,22,23)