ethanoic acid; 6-[(5E)-5-[1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: ethanoic acid; 6-[(5E)-5-[1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: acetic acid; 6-[(5E)-5-[1-[2-(4-ethoxyanilino)-2-oxo-ethyl]-2-oxo-indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: acetic acid; 6-[(5E)-5-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: acetic acid; 6-[(5E)-5-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: acetic acid; 6-[(5E)-4-keto-5-[2-keto-1-[2-keto-2-(p-phenetidino)ethyl]indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C29H31N3O8S2 MolecularWeight: 613.70174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCCCC(=O)O)C2=O.CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)CCCCCC(=O)O)/C2=O.CC(=O)O

InChI

InChI=1S/C27H27N3O6S2.C2H4O2/c1-2-36-18-13-11-17(12-14-18)28-21(31)16-30-20-9-6-5-8-19(20)23(25(30)34)24-26(35)29(27(37)38-24)15-7-3-4-10-22(32)33;1-2(3)4/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3,(H,28,31)(H,32,33);1H3,(H,3,4)/b24-23+;