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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-thiophen-2-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(2-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-(phenylmethyl)-3-thiophen-2-yl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-thiophen-2-ylpyrrol-2-yl)propanoate Traditional Name: 3-[1-benzyl-4-carbamoyl-5-methyl-3-(2-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=CC=CS3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CC=CS3)C(=O)N

InChI

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