2-(1-benzofuran-5-yl)-2-methylsulfanyl-N-sulfonyl-propanamide; N-ethylethanamine

Systemtic Name: 2-(1-benzofuran-5-yl)-2-methylsulfanyl-N-sulfonyl-propanamide; N-ethylethanamine Openeye Name: 2-(benzofuran-5-yl)-2-methylsulfanyl-N-sulfonyl-propanamide; N-ethylethanamine CAS Name: 2-(5-benzofuranyl)-2-(methylthio)-N-sulfonylpropanamide; N-ethylethanamine IUPAC Name: 2-(1-benzofuran-5-yl)-2-methylsulfanyl-N-sulfonylpropanamide; N-ethylethanamine Traditional Name: 2-(benzofuran-5-yl)-2-(methylthio)-N-sulfonyl-propionamide; diethylamine Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC(C1=CC2=C(C=C1)OC=C2)(C(=O)N=S(=O)=O)SC

Isomeric SMILES

CCNCC.CC(C1=CC2=C(C=C1)OC=C2)(C(=O)N=S(=O)=O)SC

InChI

InChI=1S/C12H11NO4S2.C4H11N/c1-12(18-2,11(14)13-19(15)16)9-3-4-10-8(7-9)5-6-17-10;1-3-5-4-2/h3-7H,1-2H3;5H,3-4H2,1-2H3