methyl 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-4-thiazolyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C16H21N3O2S/c1-5-7-17-16-18-14(10-22-16)13-9-11(2)19(12(13)3)8-6-15(20)21-4/h5,9-10H,1,6-8H2,2-4H3,(H,17,18)