(3S)-3-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-phenyl-6-[4-(2-thienylmethyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-6-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-phenyl-6-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-phenyl-6-[4-(2-thenyl)piperazine-1-carbonyl]isochroman-1-one Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O3S/c28-24(27-12-10-26(11-13-27)17-21-7-4-14-31-21)19-8-9-22-20(15-19)16-23(30-25(22)29)18-5-2-1-3-6-18/h1-9,14-15,23H,10-13,16-17H2/t23-/m0/s1