[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C21H24N2O6S2/c1-14(24)22-17(20-6-4-10-30-20)12-21(26)29-13-19(25)16-7-8-18-15(11-16)5-3-9-23(18)31(2,27)28/h4,6-8,10-11,17H,3,5,9,12-13H2,1-2H3,(H,22,24)