methyl 4-[2,5-dimethyl-3-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)NC(=S)N3

InChI

InChI=1S/C18H17N3O3S/c1-10-8-13(9-15-16(22)20-18(25)19-15)11(2)21(10)14-6-4-12(5-7-14)17(23)24-3/h4-9H,1-3H3,(H2,19,20,22,25)