2-(3-tert-butyl-2-methanoyl-4-oxidanyl-3-phenyl-2H-thiophen-5-yl)ethyl ethanoate; N-methylmethanamine

Systemtic Name: 2-(3-tert-butyl-2-methanoyl-4-oxidanyl-3-phenyl-2H-thiophen-5-yl)ethyl ethanoate; N-methylmethanamine Openeye Name: 2-(3-tert-butyl-2-formyl-4-hydroxy-3-phenyl-2H-thiophen-5-yl)ethyl acetate; N-methylmethanamine CAS Name: acetic acid 2-(3-tert-butyl-2-formyl-4-hydroxy-3-phenyl-2H-thiophen-5-yl)ethyl ester; N-methylmethanamine IUPAC Name: 2-(3-tert-butyl-2-formyl-4-hydroxy-3-phenyl-2H-thiophen-5-yl)ethyl acetate; N-methylmethanamine Traditional Name: acetic acid 2-(3-tert-butyl-2-formyl-4-hydroxy-3-phenyl-2H-thiophen-5-yl)ethyl ester; dimethylamine Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=C(C(C(S1)C=O)(C2=CC=CC=C2)C(C)(C)C)O.CNC

Isomeric SMILES

CC(=O)OCCC1=C(C(C(S1)C=O)(C2=CC=CC=C2)C(C)(C)C)O.CNC

InChI

InChI=1S/C19H24O4S.C2H7N/c1-13(21)23-11-10-15-17(22)19(18(2,3)4,16(12-20)24-15)14-8-6-5-7-9-14;1-3-2/h5-9,12,16,22H,10-11H2,1-4H3;3H,1-2H3