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

Systemtic Name: methyl 3-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(2-furylmethylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-(2-furanylmethylamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(2-furfurylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)NCC3=CC=CO3

InChI

InChI=1S/C18H21N3O3S/c1-12-9-15(13(2)21(12)7-6-17(22)23-3)16-11-25-18(20-16)19-10-14-5-4-8-24-14/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,19,20)