ethyl 1-ethyl-2,5-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(allylamino)thiazol-4-yl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[2-(prop-2-enylamino)-4-thiazolyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate Traditional Name: 4-[2-(allylamino)thiazol-4-yl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C2=CSC(=N2)NCC=C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)C2=CSC(=N2)NCC=C)C

InChI

InChI=1S/C17H23N3O2S/c1-6-9-18-17-19-13(10-23-17)14-11(4)20(7-2)12(5)15(14)16(21)22-8-3/h6,10H,1,7-9H2,2-5H3,(H,18,19)