[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C2CC2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C)NC(=O)C2CC2)C

InChI

InChI=1S/C17H19N3O4S/c1-8-10(3)25-16(20-15(22)11-4-5-11)14(8)17(23)24-7-13(21)12(6-18)9(2)19/h11-12,19H,4-5,7H2,1-3H3,(H,20,22)/t12-/m0/s1