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

Systemtic Name: ethyl 4-[2-[2-(1,3-benzothiazol-2-yl)phenyl]carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[2-(1,3-benzothiazol-2-yl)phenyl]-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(1,3-benzothiazol-2-yl)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C25H22N2O5S/c1-4-31-25(30)22-15(3)26-14(2)21(22)19(28)13-32-24(29)17-10-6-5-9-16(17)23-27-18-11-7-8-12-20(18)33-23/h5-12,26H,4,13H2,1-3H3