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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-thiazol-2-yl-pyrrol-2-yl)propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-(phenylmethyl)-3-(2-thiazolyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Traditional Name: 3-(1-benzyl-4-carbamoyl-5-methyl-3-thiazol-2-yl-pyrrol-2-yl)propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-13-17(19(21)25)18(20-22-10-11-27-20)15(8-9-16(24)26-2)23(13)12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,25)