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

Systemtic Name: ethyl 4-[[4-oxidanylidene-6-(phenethylcarbamoyl)-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-benzyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[4-oxo-6-[oxo-(phenethylamino)methyl]-3-(phenylmethyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-benzyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[3-benzyl-4-keto-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-2-36-28(35)23-13-15-24(16-14-23)31-29-32(20-22-11-7-4-8-12-22)26(33)19-25(37-29)27(34)30-18-17-21-9-5-3-6-10-21/h3-16,25H,2,17-20H2,1H3,(H,30,34)