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

Systemtic Name: tert-butyl 2-[(4-chloranyl-3-methoxy-1-benzothiophen-5-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(4-chloro-3-methoxy-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[(4-chloro-3-methoxy-1-benzothiophen-5-yl)-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chloro-3-methoxy-1-benzothiophene-5-carbonyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-(4-chloro-3-methoxy-benzothiophene-5-carbonyl)-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)SC=C3OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)SC=C3OC)Cl

InChI

InChI=1S/C20H21ClO5S/c1-20(2,3)26-19(24)15(17(22)10-5-6-10)18(23)11-7-8-13-14(16(11)21)12(25-4)9-27-13/h7-10,15H,5-6H2,1-4H3