4-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]anilino]-4-keto-butyric acid Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C18H14Cl2N2O3S/c19-12-6-7-13-18(17(12)20)21-14(26-13)10-22(11-4-2-1-3-5-11)15(23)8-9-16(24)25/h1-7H,8-10H2,(H,24,25)