3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one

Systemtic Name: 3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one Openeye Name: 3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxo-ethyl]-5-methoxy-4,7-dimethyl-chromen-2-one CAS Name: 3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-oxoethyl]-5-methoxy-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxoethyl]-5-methoxy-4,7-dimethylchromen-2-one Traditional Name: 3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]-2-keto-ethyl]-5-methoxy-4,7-dimethyl-coumarin Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54)C)C(=C1)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCN(CC3)C4=NSC5=CC=CC=C54)C)C(=C1)OC

InChI

InChI=1S/C25H25N3O4S/c1-15-12-19(31-3)23-16(2)18(25(30)32-20(23)13-15)14-22(29)27-8-10-28(11-9-27)24-17-6-4-5-7-21(17)33-26-24/h4-7,12-13H,8-11,14H2,1-3H3