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

Systemtic Name: butyl 4-[2,5-dimethyl-3-[(E)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: butyl 4-[2,5-dimethyl-3-[(E)-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2,5-dimethyl-3-[(E)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid butyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=S)N3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O3S/c1-4-5-15-33-26(32)20-11-13-23(14-12-20)29-18(2)16-21(19(29)3)17-24-25(31)30(27(34)28-24)22-9-7-6-8-10-22/h6-14,16-17H,4-5,15H2,1-3H3,(H,28,34)/b24-17+