[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-4-10-25-15(2)11-18(16(25)3)20(26)13-28-21(27)19-14-29-22(24-19)23-12-17-8-6-5-7-9-17/h5-9,11,14H,4,10,12-13H2,1-3H3,(H,23,24)