methyl 3-[(4-bromanyl-2-chloranyl-phenyl)sulfonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-bromanyl-2-chloranyl-phenyl)sulfonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-bromo-2-chloro-phenyl)sulfonylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-bromo-2-chloro-phenyl)sulfonylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C14H13BrClNO4S2 MolecularWeight: 438.74432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H13BrClNO4S2/c1-21-14(18)8-11(12-3-2-6-22-12)17-23(19,20)13-5-4-9(15)7-10(13)16/h2-7,11,17H,8H2,1H3