2-diethylaminoethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoate CAS Name: 4-[[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Traditional Name: 4-[3-[(5E)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C26H28BrN3O4S2 MolecularWeight: 590.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC(=CC=C3)Br)SC2=S

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)/C(=C\C3=CC(=CC=C3)Br)/SC2=S

InChI

InChI=1S/C26H28BrN3O4S2/c1-3-29(4-2)14-15-34-25(33)19-8-10-21(11-9-19)28-23(31)12-13-30-24(32)22(36-26(30)35)17-18-6-5-7-20(27)16-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,28,31)/b22-17+