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

Systemtic Name: methyl 4-[[(6S)-3-ethyl-6-[(4-hexoxyphenyl)carbamoyl]-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[(6S)-3-ethyl-6-[(4-hexoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[(6S)-3-ethyl-6-[(4-hexoxyanilino)-oxomethyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6S)-3-ethyl-6-[(4-hexoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[(6S)-3-ethyl-6-[(4-hexoxyphenyl)carbamoyl]-4-keto-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)CC

InChI

InChI=1S/C27H33N3O5S/c1-4-6-7-8-17-35-22-15-13-20(14-16-22)28-25(32)23-18-24(31)30(5-2)27(36-23)29-21-11-9-19(10-12-21)26(33)34-3/h9-16,23H,4-8,17-18H2,1-3H3,(H,28,32)/t23-/m0/s1