methyl 4-[(5,6-dimethyl-7-oxidanylidene-3-prop-2-enyl-thiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-7-oxidanylidene-3-prop-2-enyl-thiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-allyl-5,6-dimethyl-7-oxo-thiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-dimethyl-7-oxo-3-prop-2-enyl-2-thiopyrano[2,3-d]imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-7-oxo-3-prop-2-enylthiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-allyl-7-keto-5,6-dimethyl-thiopyran[2,3-d]imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C1=O)N=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C(C1=O)N=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O3S2/c1-5-10-22-18-16(17(23)12(2)13(3)27-18)21-20(22)26-11-14-6-8-15(9-7-14)19(24)25-4/h5-9H,1,10-11H2,2-4H3