methyl 2-[6-methyl-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[[3-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-[3-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)SC)S2)CC(=O)OC

InChI

InChI=1S/C19H18N2O3S2/c1-12-7-8-15-16(9-12)26-19(21(15)11-17(22)24-2)20-18(23)13-5-4-6-14(10-13)25-3/h4-10H,11H2,1-3H3