[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]acetic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]acetic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSCC(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1CCN(CC1)C(=O)CSCC(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H21N3O4S/c19-10-14-6-2-3-7-15(14)20-16(22)11-25-18(24)13-26-12-17(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-9,11-13H2,(H,20,22)