4-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-indolin-1-yl-2-oxo-ethyl)sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(2-indolin-1-yl-2-keto-ethyl)thio]anilino]-4-keto-butyric acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H20N2O4S/c23-18(8-9-20(25)26)21-15-5-3-6-16(12-15)27-13-19(24)22-11-10-14-4-1-2-7-17(14)22/h1-7,12H,8-11,13H2,(H,21,23)(H,25,26)