methyl 5-[2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[2-(2-amino-2-oxo-ethyl)sulfanylbenzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[2-[(2-amino-2-oxoethyl)thio]phenyl]-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(2-amino-2-keto-ethyl)thio]benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C20H22N2O6S/c1-10-16(20(26)27-4)11(2)22-17(10)18(24)12(3)28-19(25)13-7-5-6-8-14(13)29-9-15(21)23/h5-8,12,22H,9H2,1-4H3,(H2,21,23)