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

Systemtic Name: ethyl 4-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl-(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-methylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-(methylthio)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-methylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-[(4,5-dichloro-1,3-benzothiazol-2-yl)methyl]-3-(methylthio)anilino]-4-keto-butyric acid ethyl ester Formula: C21H20Cl2N2O3S2 MolecularWeight: 483.4311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=NC2=C(S1)C=CC(=C2Cl)Cl)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=NC2=C(S1)C=CC(=C2Cl)Cl)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H20Cl2N2O3S2/c1-3-28-19(27)10-9-18(26)25(13-5-4-6-14(11-13)29-2)12-17-24-21-16(30-17)8-7-15(22)20(21)23/h4-8,11H,3,9-10,12H2,1-2H3