[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-(cyclopropylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-(cyclopropylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2CC2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C18H21N3O4S/c1-11-8-14(20-16(23)12-4-5-12)26-15(11)17(24)25-9-13(22)21-18(10-19)6-2-3-7-18/h8,12H,2-7,9H2,1H3,(H,20,23)(H,21,22)