4-[(Z)-2-ethoxycarbonyl-3-oxidanylidene-4-thiophen-3-yl-but-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-ethoxycarbonyl-3-oxidanylidene-4-thiophen-3-yl-but-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-ethoxycarbonyl-3-oxo-4-(3-thienyl)but-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-ethoxycarbonyl-3-oxo-4-(3-thiophenyl)but-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-ethoxycarbonyl-3-oxo-4-thiophen-3-ylbut-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-carbethoxy-3-keto-4-(3-thienyl)but-1-enyl]benzoic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)CC2=CSC=C2

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)C(=O)O)/C(=O)CC2=CSC=C2

InChI

InChI=1S/C18H16O5S/c1-2-23-18(22)15(16(19)10-13-7-8-24-11-13)9-12-3-5-14(6-4-12)17(20)21/h3-9,11H,2,10H2,1H3,(H,20,21)/b15-9-