6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-3-phenyl-3,4-dihydroisochromen-1-one

Systemtic Name: 6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-3-phenyl-3,4-dihydroisochromen-1-one Openeye Name: 6-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-phenyl-isochroman-1-one CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 6-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: 6-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-3-phenyl-isochroman-1-one Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H22N2O3S/c30-26(29-14-6-10-22(29)25-28-21-9-4-5-11-24(21)33-25)18-12-13-20-19(15-18)16-23(32-27(20)31)17-7-2-1-3-8-17/h1-5,7-9,11-13,15,22-23H,6,10,14,16H2