ethyl (2R)-2-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-(1,3-benzodioxol-5-yloxymethyl)-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19NO7S/c1-2-22-18(21)13(9-27)19-17(20)15-6-4-12(26-15)8-23-11-3-5-14-16(7-11)25-10-24-14/h3-7,13,27H,2,8-10H2,1H3,(H,19,20)/t13-/m0/s1