(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C(=C(N2)C)C(C)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C(=C(N2)C)[C@H](C)O)C

InChI

InChI=1S/C18H21N3O5S/c1-5-25-18(24)15-12(11(6-19)16(20)27-15)7-26-17(23)14-8(2)13(10(4)22)9(3)21-14/h10,21-22H,5,7,20H2,1-4H3/t10-/m0/s1