dimethyl 2-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]butanedioate

Systemtic Name: dimethyl 2-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepan-1-yl]carbothioylamino]butanedioate Openeye Name: dimethyl 2-[[4-[(5-methoxycarbonyl-2-furyl)methyl]-1,4-diazepane-1-carbothioyl]amino]butanedioate CAS Name: 2-[[[4-[(5-methoxycarbonyl-2-furanyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]-1,4-diazepane-1-carbothioyl]amino]butanedioate Traditional Name: 2-[[4-[(5-carbomethoxy-2-furyl)methyl]-1,4-diazepane-1-carbothioyl]amino]succinic acid dimethyl ester Formula: C19H27N3O7S MolecularWeight: 441.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O7S/c1-26-16(23)11-14(17(24)27-2)20-19(30)22-8-4-7-21(9-10-22)12-13-5-6-15(29-13)18(25)28-3/h5-6,14H,4,7-12H2,1-3H3,(H,20,30)