(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(aminocarbonylamino)-3-thiophen-2-yl-propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2-thienyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(carbamoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-ureido-propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC(C3=CC=CS3)NC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CC(C3=CC=CS3)NC(=O)N

InChI

InChI=1S/C17H17ClN2O5S/c18-11-6-10(7-13-16(11)24-4-3-23-13)9-25-15(21)8-12(20-17(19)22)14-2-1-5-26-14/h1-2,5-7,12H,3-4,8-9H2,(H3,19,20,22)