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

Systemtic Name: 3-[(5Z)-5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H15BrN2O4S2 MolecularWeight: 503.3888

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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)CCC(=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)CCC(=O)O)/C2=O

InChI

InChI=1S/C21H15BrN2O4S2/c22-13-6-7-15-14(10-13)17(19(27)24(15)11-12-4-2-1-3-5-12)18-20(28)23(21(29)30-18)9-8-16(25)26/h1-7,10H,8-9,11H2,(H,25,26)/b18-17-