ethyl 4-[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-2-33-25(32)18-13-15-20(16-14-18)27-23(30)17-22-24(31)29(21-11-7-4-8-12-21)26(34-22)28-19-9-5-3-6-10-19/h13-16,19,21-22H,2-12,17H2,1H3,(H,27,30)/t22-/m1/s1