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

Systemtic Name: 2-[5-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[5-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[5-(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C20H15BrN2O5S3 MolecularWeight: 539.4425

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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)CCS(=O)(=O)O)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O5S3/c21-13-6-7-15-14(10-13)16(18(24)23(15)11-12-4-2-1-3-5-12)17-19(25)22(20(29)30-17)8-9-31(26,27)28/h1-7,10H,8-9,11H2,(H,26,27,28)