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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic 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-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO5S/c18-12-8-11(9-13-16(12)23-6-5-22-13)10-24-15(20)3-4-19-17(21)14-2-1-7-25-14/h1-2,7-9H,3-6,10H2,(H,19,21)