N-[[5-azanyl-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]carbonyl]morpholine-4-carboxamide

Systemtic Name: N-[[5-azanyl-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]carbonyl]morpholine-4-carboxamide Openeye Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]morpholine-4-carboxamide CAS Name: N-[[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophen-2-yl]-oxomethyl]-4-morpholinecarboxamide IUPAC Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]morpholine-4-carboxamide Traditional Name: N-[5-amino-4-cyano-3-(3-nitrophenyl)-2,3-dihydrothiophene-2-carbonyl]morpholine-4-carboxamide Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)NC(=O)C2C(C(=C(S2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S/c18-9-12-13(10-2-1-3-11(8-10)22(25)26)14(28-15(12)19)16(23)20-17(24)21-4-6-27-7-5-21/h1-3,8,13-14H,4-7,19H2,(H,20,23,24)