(E)-4-[4-(azepan-1-yl)-3-methyl-thiophen-2-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(azepan-1-yl)-3-methyl-thiophen-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(azepan-1-yl)-3-methyl-2-thienyl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(1-azepanyl)-3-methyl-2-thiophenyl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(azepan-1-yl)-3-methylthiophen-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(azepan-1-yl)-3-methyl-2-thienyl]oxy]-4-keto-but-2-enoic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1N2CCCCCC2)OC(=O)C=CC(=O)O

Isomeric SMILES

CC1=C(SC=C1N2CCCCCC2)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-11-12(16-8-4-2-3-5-9-16)10-21-15(11)20-14(19)7-6-13(17)18/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)/b7-6+