3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2C(=C(C(=CO2)C3=NC4=CC=CC=C4S3)O)CCC1=O

Isomeric SMILES

CN(C)CC1C2C(=C(C(=CO2)C3=NC4=CC=CC=C4S3)O)CCC1=O

InChI

InChI=1S/C19H20N2O3S/c1-21(2)9-12-15(22)8-7-11-17(23)13(10-24-18(11)12)19-20-14-5-3-4-6-16(14)25-19/h3-6,10,12,18,23H,7-9H2,1-2H3