methyl 4-(4-bromophenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(2-ethyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H20BrNO3S/c1-4-11(5-2)16(21)20-17-15(18(22)23-3)14(10-24-17)12-6-8-13(19)9-7-12/h6-11H,4-5H2,1-3H3,(H,20,21)