methyl 7-chloranyl-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 7-chloranyl-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: methyl 7-chloro-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 7-chloro-3-isocyanato-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 7-chloro-3-isocyanato-benzothiophene-2-carboxylic acid methyl ester Formula: C11H6ClNO3S MolecularWeight: 267.68824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C(=CC=C2)Cl)N=C=O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C(=CC=C2)Cl)N=C=O

InChI

InChI=1S/C11H6ClNO3S/c1-16-11(15)10-8(13-5-14)6-3-2-4-7(12)9(6)17-10/h2-4H,1H3