propyl 4-bromanyl-3-isocyanatosulfonyl-thiophene-2-carboxylate

Systemtic Name: propyl 4-bromanyl-3-isocyanatosulfonyl-thiophene-2-carboxylate Openeye Name: propyl 4-bromo-3-isocyanatosulfonyl-thiophene-2-carboxylate CAS Name: 4-bromo-3-isocyanatosulfonyl-2-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-bromo-3-isocyanatosulfonylthiophene-2-carboxylate Traditional Name: 4-bromo-3-isocyanatosulfonyl-thiophene-2-carboxylic acid propyl ester Formula: C9H8BrNO5S2 MolecularWeight: 354.19752

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CS1)Br)S(=O)(=O)N=C=O

Isomeric SMILES

CCCOC(=O)C1=C(C(=CS1)Br)S(=O)(=O)N=C=O

InChI

InChI=1S/C9H8BrNO5S2/c1-2-3-16-9(13)7-8(6(10)4-17-7)18(14,15)11-5-12/h4H,2-3H2,1H3