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

Systemtic Name: 4-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-6-ethyl-7-hydroxy-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)CN(C)C(C)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)[C@@H](C)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H22N2O3S/c1-4-14-9-16-15(10-21(26)27-19(16)11-18(14)25)12-24(3)13(2)22-23-17-7-5-6-8-20(17)28-22/h5-11,13,25H,4,12H2,1-3H3/t13-/m0/s1