methyl 3-(4-aminocarbonyl-5-methyl-1-phenethyl-3-thiophen-3-yl-pyrrol-2-yl)propanoate

Systemtic Name: methyl 3-(4-aminocarbonyl-5-methyl-1-phenethyl-3-thiophen-3-yl-pyrrol-2-yl)propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(3-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(3-thiophenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-carbamoyl-5-methyl-1-phenethyl-3-thiophen-3-ylpyrrol-2-yl)propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(3-thienyl)pyrrol-2-yl]propionic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-15-20(22(23)26)21(17-11-13-28-14-17)18(8-9-19(25)27-2)24(15)12-10-16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3,(H2,23,26)