4-(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoate

Systemtic Name: 4-(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoate Openeye Name: 4-(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-[3-(3-thienyl)-2H-1,2,4-oxadiazol-5-ylidene]butanoate CAS Name: 4-(3-chloro-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-[3-(3-thiophenyl)-2H-1,2,4-oxadiazol-5-ylidene]butanoate IUPAC Name: 4-(3-chloro-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(3-thiophen-3-yl-2H-1,2,4-oxadiazol-5-ylidene)butanoate Traditional Name: 4-(3-chloro-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)-3-[3-(3-thienyl)-2H-1,2,4-oxadiazol-5-ylidene]butyrate Formula: C17H12ClN2O5S- MolecularWeight: 391.80558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2N=C(NO2)C3=CSC=C3)CC(=O)[O-])C=C(C1=O)Cl

Isomeric SMILES

COC1=CC(=CC(=C2N=C(NO2)C3=CSC=C3)CC(=O)[O-])C=C(C1=O)Cl

InChI

InChI=1S/C17H13ClN2O5S/c1-24-13-6-9(5-12(18)15(13)23)4-11(7-14(21)22)17-19-16(20-25-17)10-2-3-26-8-10/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)/p-1