ethyl 4-chloranyl-3-isothiocyanatosulfonyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-chloranyl-3-isothiocyanatosulfonyl-thiophene-2-carboxylate Openeye Name: ethyl 4-chloro-3-isothiocyanatosulfonyl-thiophene-2-carboxylate CAS Name: 4-chloro-3-isothiocyanatosulfonyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-isothiocyanatosulfonylthiophene-2-carboxylate Traditional Name: 4-chloro-3-isothiocyanatosulfonyl-thiophene-2-carboxylic acid ethyl ester Formula: C8H6ClNO4S3 MolecularWeight: 311.78554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)Cl)S(=O)(=O)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)Cl)S(=O)(=O)N=C=S

InChI

InChI=1S/C8H6ClNO4S3/c1-2-14-8(11)6-7(5(9)3-16-6)17(12,13)10-4-15/h3H,2H2,1H3