[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)OCC(=O)NC(=O)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)OCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H20ClN3O6/c1-27-14-5-2-11(19)7-13(14)22-8-10(6-16(22)24)17(25)28-9-15(23)21-18(26)20-12-3-4-12/h2,5,7,10,12H,3-4,6,8-9H2,1H3,(H2,20,21,23,26)/t10-/m0/s1