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

Systemtic Name: methyl 4-[(5,6-dimethyl-7-oxidanylidene-3-phenyl-thiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5,6-dimethyl-7-oxo-3-phenyl-thiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-dimethyl-7-oxo-3-phenyl-2-thiopyrano[2,3-d]imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-7-oxo-3-phenylthiopyrano[2,3-d]imidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(7-keto-5,6-dimethyl-3-phenyl-thiopyran[2,3-d]imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C1=O)N=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C(C1=O)N=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C23H20N2O3S2/c1-14-15(2)30-21-19(20(14)26)24-23(25(21)18-7-5-4-6-8-18)29-13-16-9-11-17(12-10-16)22(27)28-3/h4-12H,13H2,1-3H3