2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: 2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: 2-[methyl(2-thienylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxobutanoic acid 2-[methyl(thiophen-2-ylmethyl)amino]ethyl ester IUPAC Name: 2-[methyl(thiophen-2-ylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,3-benzodioxol-4-yl)acrylic acid 2-[methyl(2-thenyl)amino]ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C2C(=CC=C1)OCO2)C(=O)OCCN(C)CC3=CC=CS3

Isomeric SMILES

CC(=O)/C(=C\C1=C2C(=CC=C1)OCO2)/C(=O)OCCN(C)CC3=CC=CS3

InChI

InChI=1S/C20H21NO5S/c1-14(22)17(11-15-5-3-7-18-19(15)26-13-25-18)20(23)24-9-8-21(2)12-16-6-4-10-27-16/h3-7,10-11H,8-9,12-13H2,1-2H3/b17-11+