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

Systemtic Name: methyl 2-[7-chloranyl-4-methyl-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17ClN2O5S2 MolecularWeight: 452.93168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)N2CC(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)N2CC(=O)OC

InChI

InChI=1S/C19H17ClN2O5S2/c1-11-7-8-14(20)17-16(11)22(10-15(23)27-2)19(28-17)21-18(24)12-5-4-6-13(9-12)29(3,25)26/h4-9H,10H2,1-3H3