phenyl 3-chloranyl-5,6-dimethoxy-1-benzothiophene-2-carboxylate

Systemtic Name: phenyl 3-chloranyl-5,6-dimethoxy-1-benzothiophene-2-carboxylate Openeye Name: phenyl 3-chloro-5,6-dimethoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxylic acid phenyl ester IUPAC Name: phenyl 3-chloro-5,6-dimethoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5,6-dimethoxy-benzothiophene-2-carboxylic acid phenyl ester Formula: C17H13ClO4S MolecularWeight: 348.80072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C17H13ClO4S/c1-20-12-8-11-14(9-13(12)21-2)23-16(15(11)18)17(19)22-10-6-4-3-5-7-10/h3-9H,1-2H3