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

Systemtic Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-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)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O5S2/c1-3-22-15(20)7-12-8-25-17(19-12)26-10(2)16(21)18-11-4-5-13-14(6-11)24-9-23-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,21)