3-oxidanylidene-2-[2-[4-(phenylmethyl)thiophen-2-yl]ethyl]butanoate

Systemtic Name: 3-oxidanylidene-2-[2-[4-(phenylmethyl)thiophen-2-yl]ethyl]butanoate Openeye Name: 2-[2-(4-benzyl-2-thienyl)ethyl]-3-oxo-butanoate CAS Name: 3-oxo-2-[2-[4-(phenylmethyl)-2-thiophenyl]ethyl]butanoate IUPAC Name: 2-[2-(4-benzylthiophen-2-yl)ethyl]-3-oxobutanoate Traditional Name: 2-[2-(4-benzyl-2-thienyl)ethyl]-3-keto-butyrate Formula: C17H17O3S- MolecularWeight: 301.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC(=CS1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)C(CCC1=CC(=CS1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H18O3S/c1-12(18)16(17(19)20)8-7-15-10-14(11-21-15)9-13-5-3-2-4-6-13/h2-6,10-11,16H,7-9H2,1H3,(H,19,20)/p-1