3-[[4-methyl-1-(thiophen-3-ylmethoxy)pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: 3-[[4-methyl-1-(thiophen-3-ylmethoxy)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: 3-[[3-methyl-1-(3-thienylmethoxymethyl)butyl]carbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[4-methyl-1-(3-thiophenylmethoxy)pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[[4-methyl-1-(thiophen-3-ylmethoxy)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[[3-methyl-1-(3-thenyloxymethyl)butyl]carbamoyl]oxirane-2-carboxylate Formula: C15H20NO5S- MolecularWeight: 326.388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(COCC1=CSC=C1)NC(=O)C2C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)CC(COCC1=CSC=C1)NC(=O)C2C(O2)C(=O)[O-]

InChI

InChI=1S/C15H21NO5S/c1-9(2)5-11(7-20-6-10-3-4-22-8-10)16-14(17)12-13(21-12)15(18)19/h3-4,8-9,11-13H,5-7H2,1-2H3,(H,16,17)(H,18,19)/p-1