(2R,3R)-5-azanyl-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide

Systemtic Name: (2R,3R)-5-azanyl-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Openeye Name: (2R,3R)-5-amino-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide CAS Name: (2R,3R)-5-amino-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitroanilino)-oxomethyl]-2,3-dihydrothiophene-2-carboxamide IUPAC Name: (2R,3R)-5-amino-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Traditional Name: (2R,3R)-5-amino-4-cyano-3-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamoyl]-2,3-dihydrothiophene-2-carboxamide Formula: C20H17N5O5S MolecularWeight: 439.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H](SC(=C2C#N)N)C(=O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5S/c1-30-14-8-2-11(3-9-14)16-15(10-21)18(22)31-17(16)19(26)24-20(27)23-12-4-6-13(7-5-12)25(28)29/h2-9,16-17H,22H2,1H3,(H2,23,24,26,27)/t16-,17-/m1/s1