cyclobutylmethanamine; cyclopent-3-en-1-ylmethanol; ethyl cyclobutanecarboxylate; 2-methyl-3-oxidanylidene-3-thiophen-3-yl-propanoic acid

Systemtic Name: cyclobutylmethanamine; cyclopent-3-en-1-ylmethanol; ethyl cyclobutanecarboxylate; 2-methyl-3-oxidanylidene-3-thiophen-3-yl-propanoic acid Openeye Name: cyclobutylmethanamine; cyclopent-3-en-1-ylmethanol; ethyl cyclobutanecarboxylate; 2-methyl-3-oxo-3-(3-thienyl)propanoic acid CAS Name: cyclobutanecarboxylic acid ethyl ester; cyclobutylmethanamine; 1-cyclopent-3-enylmethanol; 2-methyl-3-oxo-3-(3-thiophenyl)propanoic acid IUPAC Name: cyclobutylmethanamine; cyclopent-3-en-1-ylmethanol; ethyl cyclobutanecarboxylate; 2-methyl-3-oxo-3-thiophen-3-ylpropanoic acid Traditional Name: cyclobutanecarboxylic acid ethyl ester; cyclobutylmethylamine; cyclopent-3-en-1-ylmethanol; 3-keto-2-methyl-3-(3-thienyl)propionic acid Formula: C26H41NO6S MolecularWeight: 495.67184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC1.CC(C(=O)C1=CSC=C1)C(=O)O.C1CC(C1)CN.C1C=CCC1CO

Isomeric SMILES

CCOC(=O)C1CCC1.CC(C(=O)C1=CSC=C1)C(=O)O.C1CC(C1)CN.C1C=CCC1CO

InChI

InChI=1S/C8H8O3S.C7H12O2.C6H10O.C5H11N/c1-5(8(10)11)7(9)6-2-3-12-4-6;1-2-9-7(8)6-4-3-5-6;7-5-6-3-1-2-4-6;6-4-5-2-1-3-5/h2-5H,1H3,(H,10,11);6H,2-5H2,1H3;1-2,6-7H,3-5H2;5H,1-4,6H2