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

Systemtic Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C24H22N2O4S/c1-4-29-24(28)22-15(3)25-14(2)21(22)19(27)13-30-17-11-9-16(10-12-17)23-26-18-7-5-6-8-20(18)31-23/h5-12,25H,4,13H2,1-3H3