N-ethylethanamine; 4-oxidanyl-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: N-ethylethanamine; 4-oxidanyl-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-benzyl-4-hydroxy-2-thioxo-thiazolidine-4-carboxylic acid; N-ethylethanamine CAS Name: N-ethylethanamine; 4-hydroxy-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinecarboxylic acid IUPAC Name: 3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid; N-ethylethanamine Traditional Name: 3-benzyl-4-hydroxy-2-thioxo-thiazolidine-4-carboxylic acid; diethylamine Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1C(N(C(=S)S1)CC2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CCNCC.C1C(N(C(=S)S1)CC2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C11H11NO3S2.C4H11N/c13-9(14)11(15)7-17-10(16)12(11)6-8-4-2-1-3-5-8;1-3-5-4-2/h1-5,15H,6-7H2,(H,13,14);5H,3-4H2,1-2H3