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

Systemtic Name: ethyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-bromothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OCC

InChI

InChI=1S/C18H17BrN2O4S2/c1-3-24-11-5-6-12-14(9-11)27-18(21(12)10-16(22)25-4-2)20-17(23)13-7-8-15(19)26-13/h5-9H,3-4,10H2,1-2H3