(3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]isochroman-1-one Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)[C@@H]4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H20N2O3S/c25-21(18-13-15-5-1-2-6-16(15)22(26)27-18)24-11-9-14(10-12-24)20-23-17-7-3-4-8-19(17)28-20/h1-8,14,18H,9-13H2/t18-/m0/s1