methyl 4-[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]benzoate Openeye Name: methyl 4-[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]benzoate CAS Name: 4-[[(5-bromo-2-thiophenyl)methyl-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]benzoic acid methyl ester Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H14BrNO3S/c1-17(9-12-7-8-13(16)21-12)14(18)10-3-5-11(6-4-10)15(19)20-2/h3-8H,9H2,1-2H3