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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(3-oxidanylpropyl)-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-3-thiazol-2-yl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-3-(2-thiazolyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-3-(1,3-thiazol-2-yl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-3-thiazol-2-yl-pyrrol-2-yl]propionic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=NC=CS2)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=NC=CS2)C(=O)N

InChI

InChI=1S/C16H21N3O4S/c1-10-13(15(17)22)14(16-18-6-9-24-16)11(4-5-12(21)23-2)19(10)7-3-8-20/h6,9,20H,3-5,7-8H2,1-2H3,(H2,17,22)