[3,4-diacetyloxy-5-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxidanylidene-indol-1-yl]oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [3,4-diacetyloxy-5-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxidanylidene-indol-1-yl]oxolan-2-yl]methyl hexadecanoate Openeye Name: [3,4-diacetoxy-5-[(3Z)-3-(carbamothioylhydrazono)-6-nitro-2-oxo-indolin-1-yl]tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [3,4-diacetyloxy-5-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxo-1-indolyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxoindol-1-yl]oxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [3,4-diacetoxy-5-[(3Z)-2-keto-6-nitro-3-(thiocarbamoylhydrazono)indolin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C34H49N5O10S MolecularWeight: 719.84536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=NNC(=S)N)C2=O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])/C(=N/NC(=S)N)/C2=O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H49N5O10S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(42)46-21-27-30(47-22(2)40)31(48-23(3)41)33(49-27)38-26-20-24(39(44)45)18-19-25(26)29(32(38)43)36-37-34(35)50/h18-20,27,30-31,33H,4-17,21H2,1-3H3,(H3,35,37,50)/b36-29-