4-methyl-2-(thiochromeno[4,3-c]pyrazol-8-ylcarbonylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(thiochromeno[4,3-c]pyrazol-8-ylcarbonylamino)pentanoic acid Openeye Name: 4-methyl-2-(thiochromeno[4,3-c]pyrazole-8-carbonylamino)pentanoic acid CAS Name: 4-methyl-2-[[oxo(8-thiochromeno[4,3-c]pyrazolyl)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-(thiochromeno[4,3-c]pyrazole-8-carbonylamino)pentanoic acid Traditional Name: 4-methyl-2-(thiochromeno[4,3-c]pyrazole-8-carbonylamino)valeric acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)SC=C3C2=NN=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)SC=C3C2=NN=C3

InChI

InChI=1S/C17H17N3O3S/c1-9(2)5-13(17(22)23)19-16(21)10-3-4-14-12(6-10)15-11(8-24-14)7-18-20-15/h3-4,6-9,13H,5H2,1-2H3,(H,19,21)(H,22,23)