methyl 4-[3-[2-(cyclohexylcarbonylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(cyclohexylcarbonylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(cyclohexanecarbonylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[[cyclohexyl(oxo)methyl]amino]-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(cyclohexanecarbonylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(cyclohexanecarbonylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)C4CCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-15-13-20(16(2)27(15)19-11-9-18(10-12-19)23(29)30-3)21-14-31-24(25-21)26-22(28)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3,(H,25,26,28)