methyl 2-[2-[4-(4-aminocarbonyl-1-butyl-5-methyl-pyrrol-2-yl)-1,3-thiazol-2-yl]ethylsulfanyl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-aminocarbonyl-1-butyl-5-methyl-pyrrol-2-yl)-1,3-thiazol-2-yl]ethylsulfanyl]ethanoate Openeye Name: methyl 2-[2-[4-(1-butyl-4-carbamoyl-5-methyl-pyrrol-2-yl)thiazol-2-yl]ethylsulfanyl]acetate CAS Name: 2-[2-[4-(1-butyl-4-carbamoyl-5-methyl-2-pyrrolyl)-2-thiazolyl]ethylthio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(1-butyl-4-carbamoyl-5-methylpyrrol-2-yl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate Traditional Name: 2-[2-[4-(1-butyl-4-carbamoyl-5-methyl-pyrrol-2-yl)thiazol-2-yl]ethylthio]acetic acid methyl ester Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)CCSCC(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)CCSCC(=O)OC)C(=O)N)C

InChI

InChI=1S/C18H25N3O3S2/c1-4-5-7-21-12(2)13(18(19)23)9-15(21)14-10-26-16(20-14)6-8-25-11-17(22)24-3/h9-10H,4-8,11H2,1-3H3,(H2,19,23)