3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-(2-thienyl)propionic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(CCC2)NC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C=N1)C(CCC2)NC(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C15H19N3O2S/c1-18-13-5-2-4-11(10(13)9-16-18)17-12(8-15(19)20)14-6-3-7-21-14/h3,6-7,9,11-12,17H,2,4-5,8H2,1H3,(H,19,20)