(3S)-N-methyl-1-oxidanylidene-3-phenyl-N-(thiophen-2-ylmethyl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-methyl-1-oxidanylidene-3-phenyl-N-(thiophen-2-ylmethyl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-methyl-1-oxo-3-phenyl-N-(2-thienylmethyl)isochromane-6-carboxamide CAS Name: (3S)-N-methyl-1-oxo-3-phenyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-methyl-1-oxo-3-phenyl-N-(thiophen-2-ylmethyl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-methyl-3-phenyl-N-(2-thenyl)isochroman-6-carboxamide Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO3S/c1-23(14-18-8-5-11-27-18)21(24)16-9-10-19-17(12-16)13-20(26-22(19)25)15-6-3-2-4-7-15/h2-12,20H,13-14H2,1H3/t20-/m0/s1