[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)-3-ureido-propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H14BrClN2O4S MolecularWeight: 445.71536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)OCC(=O)C2=CC=C(S2)Br)NC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)OCC(=O)C2=CC=C(S2)Br)NC(=O)N)Cl

InChI

InChI=1S/C16H14BrClN2O4S/c17-14-6-5-13(25-14)12(21)8-24-15(22)7-11(20-16(19)23)9-1-3-10(18)4-2-9/h1-6,11H,7-8H2,(H3,19,20,23)