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

Systemtic Name: ethyl 4-[(6-aminocarbonyl-3-heptyl-4-oxidanylidene-1,3-thiazinan-2-ylidene)amino]benzoate Openeye Name: ethyl 4-[(6-carbamoyl-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate CAS Name: 4-[(6-carbamoyl-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-carbamoyl-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate Traditional Name: 4-[(6-carbamoyl-3-heptyl-4-keto-1,3-thiazinan-2-ylidene)amino]benzoic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)N

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)N

InChI

InChI=1S/C21H29N3O4S/c1-3-5-6-7-8-13-24-18(25)14-17(19(22)26)29-21(24)23-16-11-9-15(10-12-16)20(27)28-4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,22,26)