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

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19NO3S2/c1-12-10-14(13(2)24-12)16(21)11-23-19(22)9-5-8-18-20-15-6-3-4-7-17(15)25-18/h3-4,6-7,10H,5,8-9,11H2,1-2H3