ethyl 3-[[2-methyl-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]-(phenylmethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-methyl-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]-(phenylmethyl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[benzyl-[1,1-dimethyl-3-(4-methylsulfonylphenyl)prop-2-ynyl]amino]-3-oxo-propanoate CAS Name: 3-[[2-methyl-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]-(phenylmethyl)amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[2-methyl-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]amino]-3-oxopropanoate Traditional Name: 3-[benzyl-[3-(4-mesylphenyl)-1,1-dimethyl-prop-2-ynyl]amino]-3-keto-propionic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CC=CC=C1)C(C)(C)C#CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CC=CC=C1)C(C)(C)C#CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C24H27NO5S/c1-5-30-23(27)17-22(26)25(18-20-9-7-6-8-10-20)24(2,3)16-15-19-11-13-21(14-12-19)31(4,28)29/h6-14H,5,17-18H2,1-4H3