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

Systemtic Name: 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propanoic acid CAS Name: 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-4-thiazolyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(allylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propionic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-4-6-16-15-17-13(9-21-15)12-8-10(2)18(11(12)3)7-5-14(19)20/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)(H,19,20)