methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-thiophen-3-yl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-thiophen-3-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(3-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-(phenylmethyl)-3-(3-thiophenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-thiophen-3-ylpyrrol-2-yl)propanoate Traditional Name: 3-[1-benzyl-4-carbamoyl-5-methyl-3-(3-thienyl)pyrrol-2-yl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CSC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CSC=C3)C(=O)N

InChI

InChI=1S/C21H22N2O3S/c1-14-19(21(22)25)20(16-10-11-27-13-16)17(8-9-18(24)26-2)23(14)12-15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,22,25)