4-(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoic acid

Systemtic Name: 4-(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoic acid Openeye Name: 4-(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-[3-(3-thienyl)-2H-1,2,4-oxadiazol-5-ylidene]butanoic acid CAS Name: 4-(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-[3-(3-thiophenyl)-2H-1,2,4-oxadiazol-5-ylidene]butanoic acid IUPAC Name: 4-(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoic acid Traditional Name: 4-(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-[3-(3-thienyl)-2H-1,2,4-oxadiazol-5-ylidene]butyric acid Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C2N=C(NO2)C3=CSC=C3)CC(=O)O)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C2N=C(NO2)C3=CSC=C3)CC(=O)O)C=C(C1=O)Cl

InChI

InChI=1S/C18H15ClN2O5S/c1-2-25-14-7-10(6-13(19)16(14)24)5-12(8-15(22)23)18-20-17(21-26-18)11-3-4-27-9-11/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,23)