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

Systemtic Name: tert-butyl 2-[(4-chloranyl-3-methoxy-2-methyl-1-benzothiophen-5-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(4-chloro-3-methoxy-2-methyl-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[(4-chloro-3-methoxy-2-methyl-1-benzothiophen-5-yl)-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chloro-3-methoxy-2-methyl-1-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-(4-chloro-3-methoxy-2-methyl-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:

CC1=C(C2=C(S1)C=CC(=C2Cl)C(=O)C(C(=O)C3CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2Cl)C(=O)C(C(=O)C3CC3)C(=O)OC(C)(C)C)OC

InChI

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