3-[[3-[(4-methylphenyl)amino]-2-oxidanylidene-1H-indol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[3-[(4-methylphenyl)amino]-2-oxidanylidene-1H-indol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[3-(4-methylanilino)-2-oxo-indolin-3-yl]sulfanylpropanoic acid CAS Name: 3-[[3-(4-methylanilino)-2-oxo-1H-indol-3-yl]thio]propanoic acid IUPAC Name: 3-[[3-(4-methylanilino)-2-oxo-1H-indol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-keto-3-(p-toluidino)indolin-3-yl]thio]propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2(C3=CC=CC=C3NC2=O)SCCC(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-12-6-8-13(9-7-12)20-18(24-11-10-16(21)22)14-4-2-3-5-15(14)19-17(18)23/h2-9,20H,10-11H2,1H3,(H,19,23)(H,21,22)