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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3S2/c1-3-23-15(21)9-20-11-5-4-10(2)8-13(11)25-17(20)19-16(22)12-6-7-14(18)24-12/h4-8H,3,9H2,1-2H3