3-[3-(2-carboxyethyl)-2-sulfanylidene-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-2-sulfanylidene-1H-indol-3-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-2-thioxo-indolin-3-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-2-sulfanylidene-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-2-sulfanylidene-1H-indol-3-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-2-thioxo-indolin-3-yl]propionic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=S)N2)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=S)N2)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C14H15NO4S/c16-11(17)5-7-14(8-6-12(18)19)9-3-1-2-4-10(9)15-13(14)20/h1-4H,5-8H2,(H,15,20)(H,16,17)(H,18,19)