methyl 3-[2,5-dimethyl-3-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S2/c1-11-9-13(12(2)22(11)7-6-16(24)25-3)14(23)10-27-18-19-17(20-21-18)15-5-4-8-26-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,20,21)