[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H19N3O4S/c17-8-12-6-7-24-16(12)19-13(20)10-23-14(21)9-18-15(22)11-4-2-1-3-5-11/h6-7,11H,1-5,9-10H2,(H,18,22)(H,19,20)