tert-butyl 2-[(4-chloranyl-3-ethoxy-1-benzothiophen-5-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-[(4-chloranyl-3-ethoxy-1-benzothiophen-5-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(4-chloro-3-ethoxy-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[(4-chloro-3-ethoxy-1-benzothiophen-5-yl)-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chloro-3-ethoxy-1-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-(4-chloro-3-ethoxy-benzothiophene-5-carbonyl)-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C21H23ClO5S MolecularWeight: 422.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CSC2=C1C(=C(C=C2)C(=O)C(C(=O)C3CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCOC1=CSC2=C1C(=C(C=C2)C(=O)C(C(=O)C3CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H23ClO5S/c1-5-26-13-10-28-14-9-8-12(17(22)15(13)14)19(24)16(18(23)11-6-7-11)20(25)27-21(2,3)4/h8-11,16H,5-7H2,1-4H3