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

Systemtic Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-2-(piperonylamino)ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O5S2/c1-2-22-16(21)6-12-8-25-17(19-12)26-9-15(20)18-7-11-3-4-13-14(5-11)24-10-23-13/h3-5,8H,2,6-7,9-10H2,1H3,(H,18,20)