(3S)-1-oxidanylidene-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-1-oxidanylidene-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-1-oxo-3-phenyl-N-[(1R)-1-(2-thienyl)ethyl]isochromane-6-carboxamide CAS Name: (3S)-1-oxo-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-1-oxo-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-3-phenyl-N-[(1R)-1-(2-thienyl)ethyl]isochroman-6-carboxamide Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO3S/c1-14(20-8-5-11-27-20)23-21(24)16-9-10-18-17(12-16)13-19(26-22(18)25)15-6-3-2-4-7-15/h2-12,14,19H,13H2,1H3,(H,23,24)/t14-,19+/m1/s1