[4,5-diacetyloxy-6-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxidanylidene-indol-1-yl]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxidanylidene-indol-1-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[(3Z)-3-(carbamothioylhydrazono)-6-nitro-2-oxo-indolin-1-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxo-1-indolyl]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[(3Z)-3-(carbamothioylhydrazinylidene)-6-nitro-2-oxoindol-1-yl]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[(3Z)-2-keto-6-nitro-3-(thiocarbamoylhydrazono)indolin-1-yl]tetrahydropyran-3-yl] ester Formula: C20H21N5O10S MolecularWeight: 523.47324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=NNC(=S)N)C2=O

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=CC(=C3)[N+](=O)[O-])/C(=N/NC(=S)N)/C2=O

InChI

InChI=1S/C20H21N5O10S/c1-8(26)33-14-7-32-19(17(35-10(3)28)16(14)34-9(2)27)24-13-6-11(25(30)31)4-5-12(13)15(18(24)29)22-23-20(21)36/h4-6,14,16-17,19H,7H2,1-3H3,(H3,21,23,36)/b22-15-