(2S,3S)-5-azanyl-2-(1-benzofuran-2-ylcarbonyl)-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2S,3S)-5-azanyl-2-(1-benzofuran-2-ylcarbonyl)-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-2-(benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-2-[2-benzofuranyl(oxo)methyl]-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-2-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-2-(benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](SC(=C2C#N)N)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H16N2O3S/c1-25-14-8-6-12(7-9-14)18-15(11-22)21(23)27-20(18)19(24)17-10-13-4-2-3-5-16(13)26-17/h2-10,18,20H,23H2,1H3/t18-,20-/m0/s1