ethyl 2-(5-bromanylthiophen-2-yl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(5-bromanylthiophen-2-yl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(5-bromothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-bromothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-bromothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrN2O3S2/c1-3-20-11-6-5-10(16(22)23-4-2)9-13(11)25-17(20)19-15(21)12-7-8-14(18)24-12/h5-9H,3-4H2,1-2H3