ethyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-bromothiophene-2-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H15BrN2O5S3 MolecularWeight: 503.4104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrN2O5S3/c1-3-25-15(21)9-20-11-5-4-10(28(2,23)24)8-13(11)27-17(20)19-16(22)12-6-7-14(18)26-12/h4-8H,3,9H2,1-2H3