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

Systemtic Name: ethyl 4-[[4-oxidanylidene-3-phenethyl-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[4-oxo-3-phenethyl-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[4-oxo-6-[oxo-(phenethylamino)methyl]-3-phenethyl-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-3-phenethyl-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[4-keto-3-phenethyl-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C30H31N3O4S MolecularWeight: 529.64984

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O4S/c1-2-37-29(36)24-13-15-25(16-14-24)32-30-33(20-18-23-11-7-4-8-12-23)27(34)21-26(38-30)28(35)31-19-17-22-9-5-3-6-10-22/h3-16,26H,2,17-21H2,1H3,(H,31,35)