5-[1-(3-methoxy-4-oxidanyl-phenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

Systemtic Name: 5-[1-(3-methoxy-4-oxidanyl-phenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[1-(4-hydroxy-3-methoxy-benzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[1-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[1-(4-hydroxy-3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 6-methyl-5-(1-vanilloyl-3,4-dihydro-2H-quinolin-6-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C21H21N3O4S/c1-12-19(22-23-21(27)29-12)14-5-7-16-13(10-14)4-3-9-24(16)20(26)15-6-8-17(25)18(11-15)28-2/h5-8,10-12,25H,3-4,9H2,1-2H3,(H,23,27)