[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-methyl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-methyl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-methylthiazol-4-yl)acetate CAS Name: 2-(2-methyl-4-thiazolyl)acetic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-methylthiazol-4-yl)acetic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CC3=CSC(=N3)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CC3=CSC(=N3)C

InChI

InChI=1S/C22H24N2O3S/c1-15-11-20(16(2)24(15)10-9-18-7-5-4-6-8-18)21(25)13-27-22(26)12-19-14-28-17(3)23-19/h4-8,11,14H,9-10,12-13H2,1-3H3