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

Systemtic Name: ethyl 4-[2-[(3E)-3-(3-heptyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxidanylidene-indol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3E)-3-(3-heptyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-2-oxo-indolin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3E)-3-(3-heptyl-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-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3E)-3-(3-heptyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-2-keto-indolin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C29H31N3O5S2 MolecularWeight: 565.70354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)SC1=S

Isomeric SMILES

CCCCCCCN1C(=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/C29H31N3O5S2/c1-3-5-6-7-10-17-31-27(35)25(39-29(31)38)24-21-11-8-9-12-22(21)32(26(24)34)18-23(33)30-20-15-13-19(14-16-20)28(36)37-4-2/h8-9,11-16H,3-7,10,17-18H2,1-2H3,(H,30,33)/b25-24+