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

Systemtic Name: methyl 4-[3-[2-(butylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(butylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(butylamino)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(butylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(butylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=CS1)C2=C(N(C(=C2)C)CCCC(=O)OC)C

Isomeric SMILES

CCCCNC1=NC(=CS1)C2=C(N(C(=C2)C)CCCC(=O)OC)C

InChI

InChI=1S/C18H27N3O2S/c1-5-6-9-19-18-20-16(12-24-18)15-11-13(2)21(14(15)3)10-7-8-17(22)23-4/h11-12H,5-10H2,1-4H3,(H,19,20)