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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-thiazol-2-yl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(2-thiazolyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Traditional Name: 3-(4-carbamoyl-5-methyl-1-piperonyl-3-thiazol-2-yl-pyrrol-2-yl)propionic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=NC=CS4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=NC=CS4)C(=O)N

InChI

InChI=1S/C21H21N3O5S/c1-12-18(20(22)26)19(21-23-7-8-30-21)14(4-6-17(25)27-2)24(12)10-13-3-5-15-16(9-13)29-11-28-15/h3,5,7-9H,4,6,10-11H2,1-2H3,(H2,22,26)