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

Systemtic Name: methyl 2-[2-[4-(4-aminocarbonyl-5-methyl-1-phenethyl-pyrrol-2-yl)-1,3-thiazol-2-yl]ethylsulfanyl]ethanoate Openeye Name: methyl 2-[2-[4-(4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl)thiazol-2-yl]ethylsulfanyl]acetate CAS Name: 2-[2-[4-(4-carbamoyl-5-methyl-1-phenethyl-2-pyrrolyl)-2-thiazolyl]ethylthio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-carbamoyl-5-methyl-1-phenethylpyrrol-2-yl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate Traditional Name: 2-[2-[4-(4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl)thiazol-2-yl]ethylthio]acetic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC2=CC=CC=C2)C3=CSC(=N3)CCSCC(=O)OC)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCC2=CC=CC=C2)C3=CSC(=N3)CCSCC(=O)OC)C(=O)N

InChI

InChI=1S/C22H25N3O3S2/c1-15-17(22(23)27)12-19(25(15)10-8-16-6-4-3-5-7-16)18-13-30-20(24-18)9-11-29-14-21(26)28-2/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,27)