(2S)-2-[[(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxy-furan-2-ylidene]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxy-furan-2-ylidene]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(5S)-5-ethyl-3-isopropoxy-5-methyl-4-(4-methylsulfonylphenyl)-2-furylidene]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxy-2-furanylidene]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-ylidene]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(5S)-5-ethyl-3-isopropoxy-4-(4-mesylphenyl)-5-methyl-2-furylidene]amino]-3-hydroxy-propionic acid Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=NC(CO)C(=O)O)O1)OC(C)C)C2=CC=C(C=C2)S(=O)(=O)C)C

Isomeric SMILES

CC[C@]1(C(=C(C(=N[C@@H](CO)C(=O)O)O1)OC(C)C)C2=CC=C(C=C2)S(=O)(=O)C)C

InChI

InChI=1S/C20H27NO7S/c1-6-20(4)16(13-7-9-14(10-8-13)29(5,25)26)17(27-12(2)3)18(28-20)21-15(11-22)19(23)24/h7-10,12,15,22H,6,11H2,1-5H3,(H,23,24)/t15-,20-/m0/s1