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

Systemtic Name: methyl 4-[[(6S)-3-methyl-4-oxidanylidene-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[(6S)-3-methyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[(6S)-3-methyl-4-oxo-6-[oxo-(phenethylamino)methyl]-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6S)-3-methyl-4-oxo-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[(6S)-4-keto-3-methyl-6-(phenethylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C[C@H](SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-25-19(26)14-18(20(27)23-13-12-15-6-4-3-5-7-15)30-22(25)24-17-10-8-16(9-11-17)21(28)29-2/h3-11,18H,12-14H2,1-2H3,(H,23,27)/t18-/m0/s1