methyl 5-[[4-[(2-methoxy-2-oxidanylidene-ethyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-methoxy-2-oxidanylidene-ethyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methoxy-2-oxo-ethyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(2-methoxy-2-oxoethyl)amino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-methoxy-2-oxoethyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-keto-2-methoxy-ethyl)thiocarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C16H23N3O5S/c1-22-14(20)10-17-16(25)19-7-3-6-18(8-9-19)11-12-4-5-13(24-12)15(21)23-2/h4-5H,3,6-11H2,1-2H3,(H,17,25)