[4-(1,3-dithiolan-2-yl)phenyl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H21NO4S4 MolecularWeight: 443.62364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21NO4S4/c1-19(27(21,22)17-5-3-11-24-17)10-2-4-16(20)23-15-8-6-14(7-9-15)18-25-12-13-26-18/h3,5-9,11,18H,2,4,10,12-13H2,1H3