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

Systemtic Name: ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-3-heptyl-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[(2-fluoroanilino)-oxomethyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[6-[(2-fluorophenyl)carbamoyl]-3-heptyl-4-keto-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C27H32FN3O4S MolecularWeight: 513.624083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C27H32FN3O4S/c1-3-5-6-7-10-17-31-24(32)18-23(25(33)30-22-12-9-8-11-21(22)28)36-27(31)29-20-15-13-19(14-16-20)26(34)35-4-2/h8-9,11-16,23H,3-7,10,17-18H2,1-2H3,(H,30,33)