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

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-7-hydroxy-4-methyl-coumarin Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4S/c1-15-18-7-6-17(28)14-21(18)31-25(30)19(15)8-9-23(29)27-12-10-16(11-13-27)24-26-20-4-2-3-5-22(20)32-24/h2-7,14,16,28H,8-13H2,1H3