[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-18(8-11-5-6-23-10-11)15(19)9-22-16(20)12-3-4-14(21-2)13(17)7-12/h3-7,10H,8-9H2,1-2H3