methyl 5-[[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-sulfanylidene-1,3-thiazolidin-4-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-(2-sulfanylidene-4-thiazolidinyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-thioxothiazolidine-4-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CSC(=S)N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3CSC(=S)N3

InChI

InChI=1S/C16H21N3O4S2/c1-22-15(21)13-4-3-11(23-13)9-18-5-2-6-19(8-7-18)14(20)12-10-25-16(24)17-12/h3-4,12H,2,5-10H2,1H3,(H,17,24)