3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]coumarin Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H18N2O3S/c25-21(15-13-14-7-1-3-10-18(14)27-22(15)26)24-12-6-5-9-17(24)20-23-16-8-2-4-11-19(16)28-20/h1-4,7-8,10-11,13,17H,5-6,9,12H2