3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanyl-2-thienylidene)-2-phenyl-acetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(3-mercapto-5-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[(2E)-2-(5-keto-3-mercapto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]propionic acid Formula: C29H22N2O4S2 MolecularWeight: 526.62598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)SC2=O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=C(/C(=C(/C3=CC=CC=C3)\C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)/SC2=O)S

InChI

InChI=1S/C29H22N2O4S2/c32-27(31-22(28(33)34)15-19-16-30-21-14-8-7-13-20(19)21)24(18-11-5-2-6-12-18)26-25(36)23(29(35)37-26)17-9-3-1-4-10-17/h1-14,16,22,30,36H,15H2,(H,31,32)(H,33,34)/b26-24+