(E)-3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(3-thienylmethylsulfanyl)ethylsulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(3-thiophenylmethylthio)ethylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(thiophen-3-ylmethylsulfanyl)ethylsulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(3-thenylthio)ethylsulfamoyl]phenyl]acrylic acid Formula: C16H17NO4S3 MolecularWeight: 383.50548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)NCCSCC2=CSC=C2

InChI

InChI=1S/C16H17NO4S3/c18-16(19)6-3-13-1-4-15(5-2-13)24(20,21)17-8-10-23-12-14-7-9-22-11-14/h1-7,9,11,17H,8,10,12H2,(H,18,19)/b6-3+