(3S)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: (3S)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: (3S)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: (3S)-3-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: (3S)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2O3S/c1-22(13-14-7-2-3-8-15(14)20(25)27-22)21(26)24-12-6-10-17(24)19-23-16-9-4-5-11-18(16)28-19/h2-5,7-9,11,17H,6,10,12-13H2,1H3/t17-,22+/m1/s1