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

Systemtic Name: ethyl 5-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H22N2O5S/c1-4-27-21(26)19-12(2)20(22-13(19)3)15(24)11-28-18(25)10-9-17-23-14-7-5-6-8-16(14)29-17/h5-8,22H,4,9-11H2,1-3H3