methyl 3-[2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-bromo-2-thiophenyl)methyl-methylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-11-4-5-12(17(22)23-3)8-14(11)19-16(21)10-20(2)9-13-6-7-15(18)24-13/h4-8H,9-10H2,1-3H3,(H,19,21)