(2S,3S)-5-azanyl-3-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)carbonyl-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2S,3S)-5-azanyl-3-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)carbonyl-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2S,3S)-5-amino-3-(4-methoxyphenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2S,3S)-5-amino-3-(4-methoxyphenyl)-2-[(1-methyl-2-benzimidazolyl)-oxomethyl]-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2S,3S)-5-amino-3-(4-methoxyphenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2S,3S)-5-amino-3-(4-methoxyphenyl)-2-(1-methylbenzimidazole-2-carbonyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=O)C3C(C(=C(S3)N)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(=O)[C@@H]3[C@H](C(=C(S3)N)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N4O2S/c1-25-16-6-4-3-5-15(16)24-21(25)18(26)19-17(14(11-22)20(23)28-19)12-7-9-13(27-2)10-8-12/h3-10,17,19H,23H2,1-2H3/t17-,19-/m0/s1