ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)thiazol-4-yl]acetate CAS Name: 2-[2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(piperonyloylthiocarbamoylamino)thiazol-4-yl]acetic acid ethyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O5S2/c1-2-22-13(20)6-10-7-26-16(17-10)19-15(25)18-14(21)9-3-4-11-12(5-9)24-8-23-11/h3-5,7H,2,6,8H2,1H3,(H2,17,18,19,21,25)