3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O4S/c1-16-19-8-7-18(31-2)15-22(19)32-26(30)20(16)9-10-24(29)28-13-11-17(12-14-28)25-27-21-5-3-4-6-23(21)33-25/h3-8,15,17H,9-14H2,1-2H3