methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-3-methylpentanoate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)Br)C2=CC=CS2

InChI

InChI=1S/C18H20BrNO3S/c1-4-11(2)16(18(22)23-3)20-17(21)13-8-7-12(19)10-14(13)15-6-5-9-24-15/h5-11,16H,4H2,1-3H3,(H,20,21)