3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-4-phenyl-butanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-4-phenyl-butanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-ethoxycarbonyl-4-phenyl-butanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-4-phenylbutanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-4-phenylbutanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-carbethoxy-4-phenyl-butyric acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC=CC=C1)C2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(CC1=CC=CC=C1)C2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H20O4S/c1-2-25-21(24)19(20(22)23)16(12-14-8-4-3-5-9-14)17-13-26-18-11-7-6-10-15(17)18/h3-11,13,16,19H,2,12H2,1H3,(H,22,23)