(3S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-methyl-N-[(3-methyl-2-thienyl)methyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-methyl-N-[(3-methyl-2-thienyl)methyl]-3-phenyl-isochroman-6-carboxamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO3S/c1-15-10-11-28-21(15)14-24(2)22(25)17-8-9-19-18(12-17)13-20(27-23(19)26)16-6-4-3-5-7-16/h3-12,20H,13-14H2,1-2H3/t20-/m0/s1