(2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2R,3R)-2-[1-adamantyl(oxo)methyl]-5-amino-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(4-methoxyphenyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(SC(=C2C#N)N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H](SC(=C2C#N)N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N2O2S/c1-27-17-4-2-16(3-5-17)19-18(12-24)22(25)28-20(19)21(26)23-9-13-6-14(10-23)8-15(7-13)11-23/h2-5,13-15,19-20H,6-11,25H2,1H3/t13?,14?,15?,19-,20-,23?/m1/s1