(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2-thienyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(carbamoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-ureido-propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CC(C3=CC=CS3)NC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CC(C3=CC=CS3)NC(=O)N)Cl)OC1

InChI

InChI=1S/C18H19ClN2O5S/c19-12-7-11(8-14-17(12)25-5-2-4-24-14)10-26-16(22)9-13(21-18(20)23)15-3-1-6-27-15/h1,3,6-8,13H,2,4-5,9-10H2,(H3,20,21,23)