[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16N2O6S/c20-15(19-11-3-4-12-13(8-11)25-10-24-12)9-23-16(21)5-6-18-17(22)14-2-1-7-26-14/h1-4,7-8H,5-6,9-10H2,(H,18,22)(H,19,20)