(3S)-3-methyl-1-oxidanylidene-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-1-oxidanylidene-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-1-oxo-N-[2-(2-thienylmethyl)pyrazol-3-yl]isochromane-3-carboxamide CAS Name: (3S)-3-methyl-1-oxo-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-1-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-[2-(2-thenyl)pyrazol-3-yl]isochroman-3-carboxamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C19H17N3O3S/c1-19(11-13-5-2-3-7-15(13)17(23)25-19)18(24)21-16-8-9-20-22(16)12-14-6-4-10-26-14/h2-10H,11-12H2,1H3,(H,21,24)/t19-/m0/s1