ethyl 4-[[3-heptyl-4-oxidanylidene-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[3-heptyl-4-oxidanylidene-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-heptyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[3-heptyl-4-oxo-6-[oxo-(phenethylamino)methyl]-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-heptyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[3-heptyl-4-keto-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O4S/c1-3-5-6-7-11-20-32-26(33)21-25(27(34)30-19-18-22-12-9-8-10-13-22)37-29(32)31-24-16-14-23(15-17-24)28(35)36-4-2/h8-10,12-17,25H,3-7,11,18-21H2,1-2H3,(H,30,34)