methyl (E)-4-[(2R,4R,5S)-5-butyl-4-imidazol-1-ylcarbothioyloxy-oxolan-2-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(2R,4R,5S)-5-butyl-4-imidazol-1-ylcarbothioyloxy-oxolan-2-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2R,4R,5S)-5-butyl-4-(imidazole-1-carbothioyloxy)tetrahydrofuran-2-yl]but-2-enoate CAS Name: (E)-4-[(2R,4R,5S)-5-butyl-4-[1-imidazolyl(sulfanylidene)methoxy]-2-oxolanyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2R,4R,5S)-5-butyl-4-(imidazole-1-carbothioyloxy)oxolan-2-yl]but-2-enoate Traditional Name: (E)-4-[(2R,4R,5S)-5-butyl-4-(imidazole-1-carbothioyloxy)tetrahydrofuran-2-yl]but-2-enoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CC(O1)CC=CC(=O)OC)OC(=S)N2C=CN=C2

Isomeric SMILES

CCCC[C@H]1[C@@H](C[C@H](O1)C/C=C/C(=O)OC)OC(=S)N2C=CN=C2

InChI

InChI=1S/C17H24N2O4S/c1-3-4-7-14-15(23-17(24)19-10-9-18-12-19)11-13(22-14)6-5-8-16(20)21-2/h5,8-10,12-15H,3-4,6-7,11H2,1-2H3/b8-5+/t13-,14+,15-/m1/s1