[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H23N3O4S/c1-12(2)15(20-16(23)13-6-5-9-26-13)17(24)25-10-14(22)21-18(11-19)7-3-4-8-18/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,22)/t15-/m0/s1