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

Systemtic Name: methyl 4-[3-[2-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(2-amino-2-oxo-ethyl)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(2-amino-2-oxoethyl)-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(2-amino-2-keto-ethyl)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-10-7-12(13-9-23-15(18-13)8-14(17)20)11(2)19(10)6-4-5-16(21)22-3/h7,9H,4-6,8H2,1-3H3,(H2,17,20)