methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H13ClN2O4S3 MolecularWeight: 416.92272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC(=O)OC

InChI

InChI=1S/C15H13ClN2O4S3/c1-9-3-4-10-11(7-9)23-15(18(10)8-13(19)22-2)17-25(20,21)14-6-5-12(16)24-14/h3-7H,8H2,1-2H3/b17-15-