ethyl 2-[6-ethyl-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethyl-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)SC)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)SC)S2)CC(=O)OCC

InChI

InChI=1S/C21H22N2O3S2/c1-4-14-6-11-17-18(12-14)28-21(23(17)13-19(24)26-5-2)22-20(25)15-7-9-16(27-3)10-8-15/h6-12H,4-5,13H2,1-3H3