(2S)-2-acetamido-3-[3-[3-(2-diethylaminoethyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[3-[3-(2-diethylaminoethyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]sulfanyl-propanoic acid Openeye Name: (2S)-2-acetamido-3-[3-[3-(2-diethylaminoethyl)-4-methyl-2-oxo-chromen-7-yl]oxy-2-hydroxy-propyl]sulfanyl-propanoic acid CAS Name: (2S)-2-acetamido-3-[[3-[[3-(2-diethylaminoethyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]-2-hydroxypropyl]thio]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[3-[3-(2-diethylaminoethyl)-4-methyl-2-oxochromen-7-yl]oxy-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: (2S)-2-acetamido-3-[[3-[3-(2-diethylaminoethyl)-2-keto-4-methyl-chromen-7-yl]oxy-2-hydroxy-propyl]thio]propionic acid Formula: C24H34N2O7S MolecularWeight: 494.60096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(CSCC(C(=O)O)NC(=O)C)O)OC1=O)C

Isomeric SMILES

CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(CSC[C@H](C(=O)O)NC(=O)C)O)OC1=O)C

InChI

InChI=1S/C24H34N2O7S/c1-5-26(6-2)10-9-20-15(3)19-8-7-18(11-22(19)33-24(20)31)32-12-17(28)13-34-14-21(23(29)30)25-16(4)27/h7-8,11,17,21,28H,5-6,9-10,12-14H2,1-4H3,(H,25,27)(H,29,30)/t17?,21-/m1/s1