(2S,3S)-5-azanyl-3-(2-nitrophenyl)-2-(phenylcarbonyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2S,3S)-5-azanyl-3-(2-nitrophenyl)-2-(phenylcarbonyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-2-benzoyl-3-(2-nitrophenyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-2-benzoyl-3-(2-nitrophenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-2-benzoyl-3-(2-nitrophenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-2-benzoyl-3-(2-nitrophenyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S/c19-10-13-15(12-8-4-5-9-14(12)21(23)24)17(25-18(13)20)16(22)11-6-2-1-3-7-11/h1-9,15,17H,20H2/t15-,17-/m0/s1