2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[[3-oxo-5-(2-thienyl)-1,2-dihydropyrazol-4-yl]methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[[3-keto-5-(2-thienyl)-3-pyrazolin-4-yl]methylene]indol-3-yl]propionic acid Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC3=C(NNC3=O)C4=CC=CS4)N=C2C=C1)CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(/C(=C\C3=C(NNC3=O)C4=CC=CS4)/N=C2C=C1)CC(C(=O)O)N

InChI

InChI=1S/C19H16N4O3S/c20-13(19(25)26)8-11-10-4-1-2-5-14(10)21-15(11)9-12-17(22-23-18(12)24)16-6-3-7-27-16/h1-7,9,13H,8,20H2,(H,25,26)(H2,22,23,24)/b15-9+