4-[[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C19H15BrN2O4S2 MolecularWeight: 479.3674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC(=O)O)Br

InChI

InChI=1S/C19H15BrN2O4S2/c20-12-3-1-11(2-4-12)15(23)10-27-19-22-14-6-5-13(9-16(14)28-19)21-17(24)7-8-18(25)26/h1-6,9H,7-8,10H2,(H,21,24)(H,25,26)