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

Systemtic Name: 3-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-7-methoxy-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)OC)CCC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O4S/c1-15-17-10-9-16(30-2)14-21(17)31-25(29)18(15)11-12-23(28)27-13-5-7-20(27)24-26-19-6-3-4-8-22(19)32-24/h3-4,6,8-10,14,20H,5,7,11-13H2,1-2H3