methyl 2-[4,7-dimethyl-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4,7-dimethyl-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4,7-dimethyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethyl-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7-dimethyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethyl-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)SC)N2CC(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=NC(=O)C3=CC=C(C=C3)SC)N2CC(=O)OC

InChI

InChI=1S/C20H20N2O3S2/c1-12-5-6-13(2)18-17(12)22(11-16(23)25-3)20(27-18)21-19(24)14-7-9-15(26-4)10-8-14/h5-10H,11H2,1-4H3