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

Systemtic Name: [4,5-diacetyloxy-6-[(3Z)-5-bromanyl-3-(carbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[(3Z)-5-bromo-3-(carbamothioylhydrazono)-2-oxo-indolin-1-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(3Z)-5-bromo-3-(carbamothioylhydrazinylidene)-2-oxo-1-indolyl]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[(3Z)-5-bromo-3-(carbamothioylhydrazinylidene)-2-oxoindol-1-yl]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[(3Z)-5-bromo-2-keto-3-(thiocarbamoylhydrazono)indolin-1-yl]tetrahydropyran-3-yl] ester Formula: C20H21BrN4O8S MolecularWeight: 557.37174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=NNC(=S)N)C2=O

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)/C(=N/NC(=S)N)/C2=O

InChI

InChI=1S/C20H21BrN4O8S/c1-8(26)31-14-7-30-19(17(33-10(3)28)16(14)32-9(2)27)25-13-5-4-11(21)6-12(13)15(18(25)29)23-24-20(22)34/h4-6,14,16-17,19H,7H2,1-3H3,(H3,22,24,34)/b23-15-