ethyl 4-[2-[(3E)-3-(3-octyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxidanylidene-indol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3E)-3-(3-octyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxidanylidene-indol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3E)-3-(3-octyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-2-oxo-indolin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3E)-3-(3-octyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-2-oxo-1-indolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3E)-3-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3E)-2-keto-3-(4-keto-3-octyl-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C30H33N3O5S2 MolecularWeight: 579.73012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C\2/C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)/SC1=S

InChI

InChI=1S/C30H33N3O5S2/c1-3-5-6-7-8-11-18-32-28(36)26(40-30(32)39)25-22-12-9-10-13-23(22)33(27(25)35)19-24(34)31-21-16-14-20(15-17-21)29(37)38-4-2/h9-10,12-17H,3-8,11,18-19H2,1-2H3,(H,31,34)/b26-25+