[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=C(C=CS3)C#N)C

InChI

InChI=1S/C21H19N3O3S/c1-13-4-5-14(2)24(13)18-8-6-16(7-9-18)21(26)27-15(3)19(25)23-20-17(12-22)10-11-28-20/h4-11,15H,1-3H3,(H,23,25)/t15-/m1/s1