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

Systemtic Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-3-13-8-15-14(9-21(25)26-18(15)10-17(13)24)11-23(2)12-20-22-16-6-4-5-7-19(16)27-20/h4-10,24H,3,11-12H2,1-2H3