5-[3,3-dimethyl-1-(4-nitrophenyl)carbonyl-2-oxidanylidene-indol-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

Systemtic Name: 5-[3,3-dimethyl-1-(4-nitrophenyl)carbonyl-2-oxidanylidene-indol-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[3,3-dimethyl-1-(4-nitrobenzoyl)-2-oxo-indolin-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[3,3-dimethyl-1-[(4-nitrophenyl)-oxomethyl]-2-oxo-5-indolyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[3,3-dimethyl-1-(4-nitrobenzoyl)-2-oxoindol-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 5-[2-keto-3,3-dimethyl-1-(4-nitrobenzoyl)indolin-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-11-17(22-23-20(28)31-11)13-6-9-16-15(10-13)21(2,3)19(27)24(16)18(26)12-4-7-14(8-5-12)25(29)30/h4-11H,1-3H3,(H,23,28)