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

Systemtic Name: methyl 2-[(4-bromanyl-2-thiophen-2-yl-phenyl)carbonylamino]-3-cyclohexyl-propanoate Openeye Name: methyl 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-cyclohexyl-propanoate CAS Name: 2-[[(4-bromo-2-thiophen-2-ylphenyl)-oxomethyl]amino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-thiophen-2-ylbenzoyl)amino]-3-cyclohexylpropanoate Traditional Name: 2-[[4-bromo-2-(2-thienyl)benzoyl]amino]-3-cyclohexyl-propionic acid methyl ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

COC(=O)C(CC1CCCCC1)NC(=O)C2=C(C=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C21H24BrNO3S/c1-26-21(25)18(12-14-6-3-2-4-7-14)23-20(24)16-10-9-15(22)13-17(16)19-8-5-11-27-19/h5,8-11,13-14,18H,2-4,6-7,12H2,1H3,(H,23,24)