[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C17H17N3O5S2/c18-13(21)7-20-14(22)8-24-16(23)15-11(9-27-17-19-5-6-26-17)10-3-1-2-4-12(10)25-15/h1-4H,5-9H2,(H2,18,21)(H,20,22)