11-[(5E)-5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5E)-5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-5-(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C29H31BrN2O4S2 MolecularWeight: 615.60144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C4C(=O)N(C(=S)S4)CCCCCCCCCCC(=O)O)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)/C(=C\4/C(=O)N(C(=S)S4)CCCCCCCCCCC(=O)O)/C2=O

InChI

InChI=1S/C29H31BrN2O4S2/c30-21-15-16-23-22(18-21)25(27(35)32(23)19-20-12-8-7-9-13-20)26-28(36)31(29(37)38-26)17-11-6-4-2-1-3-5-10-14-24(33)34/h7-9,12-13,15-16,18H,1-6,10-11,14,17,19H2,(H,33,34)/b26-25+