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

Systemtic Name: ethyl (2R)-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC(=NN1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O5S/c1-2-22-16(21)12(7-25)17-15(20)11-6-10(18-19-11)9-3-4-13-14(5-9)24-8-23-13/h3-6,12,25H,2,7-8H2,1H3,(H,17,20)(H,18,19)/t12-/m0/s1