ethyl 5-[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C22H24N2O5S/c1-4-28-22(27)20-13(2)21(23-14(20)3)16(25)12-29-19(26)11-7-10-18-24-15-8-5-6-9-17(15)30-18/h5-6,8-9,23H,4,7,10-12H2,1-3H3