[(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(4-methylphenyl)-2-sulfanylidene-imidazol-4-yl]oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(4-methylphenyl)-2-sulfanylidene-imidazol-4-yl]oxolan-3-yl] ethanoate Openeye Name: [(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(p-tolyl)-2-thioxo-imidazol-4-yl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(4-methylphenyl)-2-sulfanylidene-4-imidazolyl]-3-oxolanyl] ester IUPAC Name: [(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(4-methylphenyl)-2-sulfanylideneimidazol-4-yl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S)-4-isothiocyanato-2-[3-methyl-1-(p-tolyl)-2-thioxo-4-imidazolin-4-yl]tetrahydrofuran-3-yl] ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(N(C2=S)C)C3C(C(CO3)N=C=S)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(N(C2=S)C)[C@H]3[C@@H]([C@H](CO3)N=C=S)OC(=O)C

InChI

InChI=1S/C18H19N3O3S2/c1-11-4-6-13(7-5-11)21-8-15(20(3)18(21)26)17-16(24-12(2)22)14(9-23-17)19-10-25/h4-8,14,16-17H,9H2,1-3H3/t14-,16+,17-/m0/s1