methyl 5-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H29N3O6S/c1-26-17(23)15(7-12-29-3)20-19(25)22-9-4-8-21(10-11-22)13-14-5-6-16(28-14)18(24)27-2/h5-6,15H,4,7-13H2,1-3H3,(H,20,25)