methyl 4-[[5-[(Z)-[2,5-bis(oxidanylidene)-3-(thiophen-2-ylmethyl)imidazolidin-4-ylidene]methyl]-2-butyl-imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-[(Z)-[2,5-bis(oxidanylidene)-3-(thiophen-2-ylmethyl)imidazolidin-4-ylidene]methyl]-2-butyl-imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[(Z)-[2,5-dioxo-3-(2-thienylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-[2,5-dioxo-3-(thiophen-2-ylmethyl)-4-imidazolidinylidene]methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[(Z)-[2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-[2,5-diketo-3-(2-thenyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C=C3C(=O)NC(=O)N3CC4=CC=CS4

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)/C=C\3/C(=O)NC(=O)N3CC4=CC=CS4

InChI

InChI=1S/C25H26N4O4S/c1-3-4-7-22-26-14-19(28(22)15-17-8-10-18(11-9-17)24(31)33-2)13-21-23(30)27-25(32)29(21)16-20-6-5-12-34-20/h5-6,8-14H,3-4,7,15-16H2,1-2H3,(H,27,30,32)/b21-13-