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

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

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3SC)S2)CC(=O)OC

InChI

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