(13E)-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-en-2-one

Systemtic Name: (13E)-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-en-2-one Openeye Name: (13E)-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-en-2-one CAS Name: (13E)-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-en-2-one IUPAC Name: (13E)-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-en-2-one Traditional Name: (13E)-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-en-2-one Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=C(C)C2CC=CCCCCCCCCCCC(=O)O2

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/C2C/C=C/CCCCCCCCCCC(=O)O2

InChI

InChI=1S/C22H33NO2S/c1-18(16-20-17-26-19(2)23-20)21-14-12-10-8-6-4-3-5-7-9-11-13-15-22(24)25-21/h10,12,16-17,21H,3-9,11,13-15H2,1-2H3/b12-10+,18-16+