ethyl 4-[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[allyl-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylamino]-4-oxobutanoate Traditional Name: 4-[allyl-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC=C)CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC=C)CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

InChI

InChI=1S/C24H28N2O6S/c1-3-11-25(22(27)9-10-24(29)30-4-2)16-23(28)26(15-19-6-5-12-33-19)14-18-7-8-20-21(13-18)32-17-31-20/h3,5-8,12-13H,1,4,9-11,14-17H2,2H3