ethyl 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C31H39N3O3S MolecularWeight: 533.72466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=NC4CCCCC4)S3)C5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=NC4CCCCC4)S3)C5CCCCC5)C

InChI

InChI=1S/C31H39N3O3S/c1-4-37-30(36)23-12-11-17-27(19-23)33-21(2)18-24(22(33)3)20-28-29(35)34(26-15-9-6-10-16-26)31(38-28)32-25-13-7-5-8-14-25/h11-12,17-20,25-26H,4-10,13-16H2,1-3H3