8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(C)CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(C)CC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H22N2O3S/c1-4-14-10-15-13(2)9-20(25)27-22(15)16(21(14)26)11-24(3)12-19-23-17-7-5-6-8-18(17)28-19/h5-10,26H,4,11-12H2,1-3H3