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

Systemtic Name: methyl 2-[6-acetamido-2-(5-bromanylthiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(5-bromothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(5-bromothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(5-bromothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H14BrN3O4S2 MolecularWeight: 468.34476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OC

InChI

InChI=1S/C17H14BrN3O4S2/c1-9(22)19-10-3-4-11-13(7-10)27-17(21(11)8-15(23)25-2)20-16(24)12-5-6-14(18)26-12/h3-7H,8H2,1-2H3,(H,19,22)