[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C17H17ClO3S MolecularWeight: 336.83308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H17ClO3S/c1-17(2,3)12-6-4-11(5-7-12)16(20)21-10-13(19)14-8-9-15(18)22-14/h4-9H,10H2,1-3H3