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

Systemtic Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-7-ethyl-coumarin Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)[C@H](C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O2S/c1-4-15-9-10-17-16(12-21(25)26-19(17)11-15)13-24(3)14(2)22-23-18-7-5-6-8-20(18)27-22/h5-12,14H,4,13H2,1-3H3/t14-/m1/s1