ethyl 2-[[3-methylbutyl-(4-phenylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[3-methylbutyl-(4-phenylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-(4-phenylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-(4-phenylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-(4-phenylbenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-4-30-25(29)22-17-31-23(26-22)16-27(15-14-18(2)3)24(28)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-13,17-18H,4,14-16H2,1-3H3