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

Systemtic Name: (2R,3R)-5-azanyl-4-cyano-N-[(4-methylphenyl)carbamoyl]-3-phenyl-2,3-dihydrothiophene-2-carboxamide Openeye Name: (2R,3R)-5-amino-4-cyano-3-phenyl-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide CAS Name: (2R,3R)-5-amino-4-cyano-N-[(4-methylanilino)-oxomethyl]-3-phenyl-2,3-dihydrothiophene-2-carboxamide IUPAC Name: (2R,3R)-5-amino-4-cyano-N-[(4-methylphenyl)carbamoyl]-3-phenyl-2,3-dihydrothiophene-2-carboxamide Traditional Name: (2R,3R)-5-amino-4-cyano-3-phenyl-N-(p-tolylcarbamoyl)-2,3-dihydrothiophene-2-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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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

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

InChI

InChI=1S/C20H18N4O2S/c1-12-7-9-14(10-8-12)23-20(26)24-19(25)17-16(13-5-3-2-4-6-13)15(11-21)18(22)27-17/h2-10,16-17H,22H2,1H3,(H2,23,24,25,26)/t16-,17-/m1/s1