methyl 2-[2-(2,5-dimethoxyphenyl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,5-dimethoxyphenyl)carbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,5-dimethoxybenzoyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,5-dimethoxyphenyl)-oxomethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dimethoxybenzoyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,5-dimethoxybenzoyl)imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

InChI

InChI=1S/C20H20N2O5S2/c1-25-12-5-8-16(26-2)14(9-12)19(24)21-20-22(11-18(23)27-3)15-7-6-13(28-4)10-17(15)29-20/h5-10H,11H2,1-4H3