ethyl 5-benzamidosulfanyl-6-methyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: ethyl 5-benzamidosulfanyl-6-methyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: ethyl 5-benzamidosulfanyl-6-methyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 5-(benzamidothio)-6-methyl-1-cyclohexa-1,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamidosulfanyl-6-methylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-(benzamidothio)-6-methyl-cyclohexa-1,5-diene-1-carboxylic acid ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC(=C1C)SNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CCCC(=C1C)SNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO3S/c1-3-21-17(20)14-10-7-11-15(12(14)2)22-18-16(19)13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19)