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

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [(1S)-2-[(3-carbamoyl-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-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-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-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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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(=O)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(=O)N

InChI

InChI=1S/C19H16N4O5S/c1-10-14(13(9-20)18(27-10)23-6-3-4-7-23)19(26)28-11(2)16(25)22-17-12(15(21)24)5-8-29-17/h3-8,11H,1-2H3,(H2,21,24)(H,22,25)/t11-/m0/s1