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

Systemtic Name: ethyl 4-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-oxo-butanoate CAS Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoate Traditional Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-keto-butyric acid ethyl ester Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N2O4S/c1-3-29-15-7-5-6-14(12-15)26(19(27)10-11-20(28)30-4-2)13-18-25-22-17(31-18)9-8-16(23)21(22)24/h5-9,12H,3-4,10-11,13H2,1-2H3