methyl 3-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(4-bromobenzoyl)isonipecotoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-28-19(25)13-17(18-3-2-12-29-18)23-20(26)14-8-10-24(11-9-14)21(27)15-4-6-16(22)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,23,26)