ethyl 4-chloranyl-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-chloranyl-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-chloro-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 4-chloro-3-isocyanato-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 4-chloro-3-isocyanato-benzothiophene-2-carboxylic acid ethyl ester Formula: C12H8ClNO3S MolecularWeight: 281.71482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CC=C2Cl)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CC=C2Cl)N=C=O

InChI

InChI=1S/C12H8ClNO3S/c1-2-17-12(16)11-10(14-6-15)9-7(13)4-3-5-8(9)18-11/h3-5H,2H2,1H3