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

Systemtic Name: ethyl 2-[7-chloranyl-4-methyl-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-4-methyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[7-chloro-4-methyl-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-4-methyl-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[7-chloro-4-methyl-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)SC)Cl)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)SC)Cl)C

InChI

InChI=1S/C20H19ClN2O3S2/c1-4-26-16(24)11-23-17-12(2)5-10-15(21)18(17)28-20(23)22-19(25)13-6-8-14(27-3)9-7-13/h5-10H,4,11H2,1-3H3