S-[(3-methanoyl-5-oxidanylidene-1-thia-4-azacyclotetradec-6-yl)methyl] ethanethioate

Systemtic Name: S-[(3-methanoyl-5-oxidanylidene-1-thia-4-azacyclotetradec-6-yl)methyl] ethanethioate Openeye Name: S-[(3-formyl-5-oxo-1-thia-4-azacyclotetradec-6-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(3-formyl-5-oxo-1-thia-4-azacyclotetradec-6-yl)methyl] ester IUPAC Name: S-[(3-formyl-5-oxo-1-thia-4-azacyclotetradec-6-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(3-formyl-5-keto-1-thia-4-azacyclotetradec-6-yl)methyl] ester Formula: C16H27NO3S2 MolecularWeight: 345.52048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCCCSCC(NC1=O)C=O

Isomeric SMILES

CC(=O)SCC1CCCCCCCCSCC(NC1=O)C=O

InChI

InChI=1S/C16H27NO3S2/c1-13(19)22-11-14-8-6-4-2-3-5-7-9-21-12-15(10-18)17-16(14)20/h10,14-15H,2-9,11-12H2,1H3,(H,17,20)