2-ethenyl-3-methyl-6-pentyl-4H-1,4-thiazepin-5-one

Systemtic Name: 2-ethenyl-3-methyl-6-pentyl-4H-1,4-thiazepin-5-one Openeye Name: 3-methyl-6-pentyl-2-vinyl-4H-1,4-thiazepin-5-one CAS Name: 2-ethenyl-3-methyl-6-pentyl-4H-1,4-thiazepin-5-one IUPAC Name: 2-ethenyl-3-methyl-6-pentyl-4H-1,4-thiazepin-5-one Traditional Name: 6-amyl-3-methyl-2-vinyl-4H-1,4-thiazepin-5-one Formula: C13H19NOS MolecularWeight: 237.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CSC(=C(NC1=O)C)C=C

Isomeric SMILES

CCCCCC1=CSC(=C(NC1=O)C)C=C

InChI

InChI=1S/C13H19NOS/c1-4-6-7-8-11-9-16-12(5-2)10(3)14-13(11)15/h5,9H,2,4,6-8H2,1,3H3,(H,14,15)