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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[2-(prop-2-enylamino)-4-thiazolyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C17H23N3O2S/c1-5-8-18-17-19-15(11-23-17)14-10-12(2)20(13(14)3)9-6-7-16(21)22-4/h5,10-11H,1,6-9H2,2-4H3,(H,18,19)