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

Systemtic Name: ethyl 2-[6-acetamido-2-(5-bromanylthiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H16BrN3O4S2 MolecularWeight: 482.37134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S2/c1-3-26-16(24)9-22-12-5-4-11(20-10(2)23)8-14(12)28-18(22)21-17(25)13-6-7-15(19)27-13/h4-8H,3,9H2,1-2H3,(H,20,23)