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

Systemtic Name: ethyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-heptyl-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[(3-bromoanilino)-oxomethyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-heptyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[6-[(3-bromophenyl)carbamoyl]-3-heptyl-4-keto-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C27H32BrN3O4S MolecularWeight: 574.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN3O4S/c1-3-5-6-7-8-16-31-24(32)18-23(25(33)29-22-11-9-10-20(28)17-22)36-27(31)30-21-14-12-19(13-15-21)26(34)35-4-2/h9-15,17,23H,3-8,16,18H2,1-2H3,(H,29,33)