ethyl 5-[2-[(6-methoxy-6-oxidanylidene-hexyl)amino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(6-methoxy-6-oxidanylidene-hexyl)amino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(6-methoxy-6-oxo-hexyl)amino]thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(6-methoxy-6-oxohexyl)amino]-4-thiazolyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-methoxy-6-oxohexyl)amino]-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(6-keto-6-methoxy-hexyl)amino]thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)NCCCCCC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)NCCCCCC(=O)OC)C

InChI

InChI=1S/C19H27N3O4S/c1-5-26-18(24)16-12(2)17(21-13(16)3)14-11-27-19(22-14)20-10-8-6-7-9-15(23)25-4/h11,21H,5-10H2,1-4H3,(H,20,22)