1-(2-butylsulfanylethanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(2-butylsulfanylethanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(2-butylsulfanylacetyl)indoline-2-carboxylic acid CAS Name: 1-[2-(butylthio)-1-oxoethyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(2-butylsulfanylacetyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[2-(butylthio)acetyl]indoline-2-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1C(CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCSCC(=O)N1C(CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-2-3-8-20-10-14(17)16-12-7-5-4-6-11(12)9-13(16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)