methyl 2-chloranyl-5-[5-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[5-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate Openeye Name: methyl 2-chloro-5-[5-[(3-oxobenzothiophen-2-ylidene)methyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(3-oxo-1-benzothiophen-2-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[5-[(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(3-ketobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C21H13ClO4S MolecularWeight: 396.84352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H13ClO4S/c1-25-21(24)15-10-12(6-8-16(15)22)17-9-7-13(26-17)11-19-20(23)14-4-2-3-5-18(14)27-19/h2-11H,1H3