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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(thiophene-2-carbonylamino)butanoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]butanoic 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 4-(thiophene-2-carbonylamino)butanoate Traditional Name: 4-(2-thenoylamino)butyric acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5S/c19-13-9-12(10-14-17(13)24-7-6-23-14)11-25-16(21)4-1-5-20-18(22)15-3-2-8-26-15/h2-3,8-10H,1,4-7,11H2,(H,20,22)