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

Systemtic Name: 4-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-keto-butyric acid Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC2=NC3=C(S2)C=CC(=C3Cl)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C20H18Cl2N2O4S/c1-2-28-13-5-3-4-12(10-13)24(17(25)8-9-18(26)27)11-16-23-20-15(29-16)7-6-14(21)19(20)22/h3-7,10H,2,8-9,11H2,1H3,(H,26,27)