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

Systemtic Name: ethyl 2-[7-chloranyl-4-methyl-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-4-methyl-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[7-chloro-4-methyl-2-[(3-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-4-methyl-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[7-chloro-2-(3-mesylbenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5S2/c1-4-28-16(24)11-23-17-12(2)8-9-15(21)18(17)29-20(23)22-19(25)13-6-5-7-14(10-13)30(3,26)27/h5-10H,4,11H2,1-3H3