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

Systemtic Name: (2R,3R)-5-azanyl-4-cyano-N-[(4-methylphenyl)carbamoyl]-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Openeye Name: (2R,3R)-5-amino-4-cyano-3-(3-nitrophenyl)-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: (2R,3R)-5-amino-4-cyano-N-[(4-methylanilino)-oxomethyl]-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide IUPAC Name: (2R,3R)-5-amino-4-cyano-N-[(4-methylphenyl)carbamoyl]-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carboxamide Traditional Name: (2R,3R)-5-amino-4-cyano-3-(3-nitrophenyl)-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(=O)[C@H]2[C@@H](C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4S/c1-11-5-7-13(8-6-11)23-20(27)24-19(26)17-16(15(10-21)18(22)30-17)12-3-2-4-14(9-12)25(28)29/h2-9,16-17H,22H2,1H3,(H2,23,24,26,27)/t16-,17-/m1/s1