4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-phenyl]methyl]-6-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-phenyl]methyl]-6-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(3,5-dimethylisoxazol-4-yl)-5-methyl-phenyl]methyl]-6-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-(3,5-dimethyl-4-isoxazolyl)-5-methylphenyl]methyl]-6-[(E)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylphenyl]methyl]-6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(3,5-dimethylisoxazol-4-yl)-5-methyl-benzyl]-6-[(E)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(ON=C2C)C)CN3C(=O)COC4=C3C=C(C=C4)C=C5C(=O)NC(=S)S5

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(ON=C2C)C)CN3C(=O)COC4=C3C=C(C=C4)/C=C/5\C(=O)NC(=S)S5

InChI

InChI=1S/C25H21N3O4S2/c1-13-6-17(8-18(7-13)23-14(2)27-32-15(23)3)11-28-19-9-16(4-5-20(19)31-12-22(28)29)10-21-24(30)26-25(33)34-21/h4-10H,11-12H2,1-3H3,(H,26,30,33)/b21-10+