ethyl 4-oxidanylidene-4-[[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-prop-2-enyl-amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-prop-2-enyl-amino]butanoate Openeye Name: ethyl 4-[allyl-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-prop-2-enylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylamino]-4-oxobutanoate Traditional Name: 4-[allyl-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC=C)CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC=C)CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

InChI

InChI=1S/C23H28N2O4S/c1-3-14-24(21(26)12-13-23(28)29-4-2)18-22(27)25(17-20-11-8-15-30-20)16-19-9-6-5-7-10-19/h3,5-11,15H,1,4,12-14,16-18H2,2H3