[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S/c1-14-12-17(15(2)24(14)16-10-11-16)19(25)13-27-22(26)9-5-8-21-23-18-6-3-4-7-20(18)28-21/h3-4,6-7,12,16H,5,8-11,13H2,1-2H3