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

Systemtic Name: methyl 2-[2-(5-bromanylthiophen-2-yl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-bromothiophene-2-carbonyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-bromothiophene-2-carbonyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H13BrN2O4S2 MolecularWeight: 441.31942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CC(=O)OC

InChI

InChI=1S/C16H13BrN2O4S2/c1-22-9-3-4-10-12(7-9)25-16(19(10)8-14(20)23-2)18-15(21)11-5-6-13(17)24-11/h3-7H,8H2,1-2H3