methyl 4-[[2-(3-chloranyl-1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-chloranyl-1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: methyl 4-[[2-(3-chlorobenzothiophen-2-yl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[[2-(3-chloro-1-benzothiophen-2-yl)-5-oxo-4-oxazolylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-chloro-1-benzothiophen-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[[2-(3-chlorobenzothiophen-2-yl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid methyl ester Formula: C20H12ClNO4S MolecularWeight: 397.83158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H12ClNO4S/c1-25-19(23)12-8-6-11(7-9-12)10-14-20(24)26-18(22-14)17-16(21)13-4-2-3-5-15(13)27-17/h2-10H,1H3