methyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[3-heptyl-4-keto-2-(4-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid methyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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