methyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H15ClN2O5S3 MolecularWeight: 494.9915

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN2O5S3/c1-28-16(24)10-23-13-8-7-11(31(2,26)27)9-15(13)30-20(23)22-19(25)18-17(21)12-5-3-4-6-14(12)29-18/h3-9H,10H2,1-2H3