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

Systemtic Name: methyl 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H25N3O3S/c1-17-15-22(18(2)29(17)14-13-19-7-5-4-6-8-19)23-16-33-26(27-23)28-24(30)20-9-11-21(12-10-20)25(31)32-3/h4-12,15-16H,13-14H2,1-3H3,(H,27,28,30)