methyl 3-phenyl-2-(thiochromeno[4,3-c]pyrazol-6-ylcarbonylamino)propanoate

Systemtic Name: methyl 3-phenyl-2-(thiochromeno[4,3-c]pyrazol-6-ylcarbonylamino)propanoate Openeye Name: methyl 3-phenyl-2-(thiochromeno[4,3-c]pyrazole-6-carbonylamino)propanoate CAS Name: 2-[[oxo(6-thiochromeno[4,3-c]pyrazolyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-(thiochromeno[4,3-c]pyrazole-6-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(thiochromeno[4,3-c]pyrazole-6-carbonylamino)propionic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC3=C2SC=C4C3=NN=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC3=C2SC=C4C3=NN=C4

InChI

InChI=1S/C21H17N3O3S/c1-27-21(26)17(10-13-6-3-2-4-7-13)23-20(25)16-9-5-8-15-18-14(11-22-24-18)12-28-19(15)16/h2-9,11-12,17H,10H2,1H3,(H,23,25)