methyl 3-[1-(4-cyano-3-pyrrol-1-yl-thiophen-2-yl)carbonylpiperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: methyl 3-[1-(4-cyano-3-pyrrol-1-yl-thiophen-2-yl)carbonylpiperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: methyl 3-[1-(4-cyano-3-pyrrol-1-yl-thiophene-2-carbonyl)-4-piperidyl]-2-oxo-oxazolidine-4-carboxylate CAS Name: 3-[1-[[4-cyano-3-(1-pyrrolyl)-2-thiophenyl]-oxomethyl]-4-piperidinyl]-2-oxo-4-oxazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(4-cyano-3-pyrrol-1-ylthiophene-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 3-[1-(4-cyano-3-pyrrol-1-yl-thiophene-2-carbonyl)-4-piperidyl]-2-keto-oxazolidine-4-carboxylic acid methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1COC(=O)N1C2CCN(CC2)C(=O)C3=C(C(=CS3)C#N)N4C=CC=C4

Isomeric SMILES

COC(=O)C1COC(=O)N1C2CCN(CC2)C(=O)C3=C(C(=CS3)C#N)N4C=CC=C4

InChI

InChI=1S/C20H20N4O5S/c1-28-19(26)15-11-29-20(27)24(15)14-4-8-23(9-5-14)18(25)17-16(13(10-21)12-30-17)22-6-2-3-7-22/h2-3,6-7,12,14-15H,4-5,8-9,11H2,1H3