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

Systemtic Name: ethyl 4-[[3-heptyl-6-[(4-iodophenyl)carbamoyl]-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-heptyl-6-[(4-iodophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[3-heptyl-6-[(4-iodoanilino)-oxomethyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-heptyl-6-[(4-iodophenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[3-heptyl-6-[(4-iodophenyl)carbamoyl]-4-keto-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C27H32IN3O4S MolecularWeight: 621.53015

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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=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C27H32IN3O4S/c1-3-5-6-7-8-17-31-24(32)18-23(25(33)29-21-15-11-20(28)12-16-21)36-27(31)30-22-13-9-19(10-14-22)26(34)35-4-2/h9-16,23H,3-8,17-18H2,1-2H3,(H,29,33)