methyl 4-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C17H16BrNO5S/c1-10(20)19-8-12-4-6-16(25-12)14(21)9-24-15-5-3-11(7-13(15)18)17(22)23-2/h3-7H,8-9H2,1-2H3,(H,19,20)