2-[3-oxidanylidenepropyl(thiochromeno[4,3-c]pyrazol-3-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-oxidanylidenepropyl(thiochromeno[4,3-c]pyrazol-3-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[3-oxopropyl(thiochromeno[4,3-c]pyrazol-3-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[3-oxopropyl(3-thiochromeno[4,3-c]pyrazolyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-oxopropyl(thiochromeno[4,3-c]pyrazol-3-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[3-ketopropyl(thiochromeno[4,3-c]pyrazol-3-yl)amino]-3-phenyl-propionic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CCC=O)C2=NN=C3C2=CSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CCC=O)C2=NN=C3C2=CSC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c26-12-6-11-25(18(22(27)28)13-15-7-2-1-3-8-15)21-17-14-29-19-10-5-4-9-16(19)20(17)23-24-21/h1-5,7-10,12,14,18H,6,11,13H2,(H,27,28)