[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1(CCCCC1)C#N)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1(CCCCC1)C#N)C2=CC=CS2

InChI

InChI=1S/C18H23N3O4S/c1-13(22)20-14(15-6-5-9-26-15)10-17(24)25-11-16(23)21-18(12-19)7-3-2-4-8-18/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,20,22)(H,21,23)