methyl (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate

Systemtic Name: methyl (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Openeye Name: methyl (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate CAS Name: (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylate Traditional Name: (2R,3R,4S)-6-(4-tert-butylphenyl)-2-ethyl-7-thia-5-azaspiro[2.4]hept-5-ene-4-carboxylic acid methyl ester Formula: C19H25NO2S MolecularWeight: 331.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC12C(N=C(S2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC[C@@H]1C[C@]12[C@@H](N=C(S2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H25NO2S/c1-6-13-11-19(13)15(17(21)22-5)20-16(23-19)12-7-9-14(10-8-12)18(2,3)4/h7-10,13,15H,6,11H2,1-5H3/t13-,15+,19-/m1/s1