3-(1,3-benzodioxol-5-yl)-3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(3-methoxy-3-oxo-propyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[5-(3-methoxy-3-oxopropyl)-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(3-methoxy-3-oxopropyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(3-keto-3-methoxy-propyl)thiophene-2-carbonyl]amino]propionic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(S1)C(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCC1=CC=C(S1)C(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO7S/c1-25-18(23)7-4-12-3-6-16(28-12)19(24)20-13(9-17(21)22)11-2-5-14-15(8-11)27-10-26-14/h2-3,5-6,8,13H,4,7,9-10H2,1H3,(H,20,24)(H,21,22)