3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-2-methyl-chromone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)CCO)O

InChI

InChI=1S/C26H29N3O4S/c1-3-17-14-18-24(32)22(26-27-20-6-4-5-7-21(20)34-26)16(2)33-25(18)19(23(17)31)15-29-10-8-28(9-11-29)12-13-30/h4-7,14,30-31H,3,8-13,15H2,1-2H3