methyl 5-[3-[(2S)-1-(4-hexylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[(2S)-1-(4-hexylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(2S)-1-(4-hexylphenyl)-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[(2S)-1-(4-hexylphenyl)-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(2S)-1-(4-hexylphenyl)-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate Traditional Name: 5-[3-[(2S)-1-(4-hexylphenyl)-5-keto-pyrrolidin-2-yl]propyl]thiophene-2-carboxylic acid methyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2C(CCC2=O)CCCC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C25H33NO3S/c1-3-4-5-6-8-19-11-13-21(14-12-19)26-20(15-18-24(26)27)9-7-10-22-16-17-23(30-22)25(28)29-2/h11-14,16-17,20H,3-10,15,18H2,1-2H3/t20-/m0/s1