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

Systemtic Name: methyl 3-[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-8-6-10(11-7-19-13(14)15-11)9(2)16(8)5-4-12(17)18-3/h6-7H,4-5H2,1-3H3,(H2,14,15)