[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)O[C@@H](C)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H14N4O4S/c1-11-15(14(10-21)18(26-11)23-6-3-4-7-23)19(25)27-12(2)16(24)22-17-13(9-20)5-8-28-17/h3-8,12H,1-2H3,(H,22,24)/t12-/m0/s1