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

Systemtic Name: ethyl 4-[[4-oxidanylidene-6-(phenethylcarbamoyl)-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[4-oxo-6-(phenethylcarbamoyl)-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[4-oxo-6-[oxo-(phenethylamino)methyl]-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-6-(phenethylcarbamoyl)-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[4-keto-6-(phenethylcarbamoyl)-3-(3-phenylpropyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C31H33N3O4S MolecularWeight: 543.67642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O4S/c1-2-38-30(37)25-15-17-26(18-16-25)33-31-34(21-9-14-23-10-5-3-6-11-23)28(35)22-27(39-31)29(36)32-20-19-24-12-7-4-8-13-24/h3-8,10-13,15-18,27H,2,9,14,19-22H2,1H3,(H,32,36)