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

Systemtic Name: methyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-ethyl-4-oxidanylidene-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[(3-bromoanilino)-oxomethyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(3-bromophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[6-[(3-bromophenyl)carbamoyl]-3-ethyl-4-keto-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H20BrN3O4S/c1-3-25-18(26)12-17(19(27)23-16-6-4-5-14(22)11-16)30-21(25)24-15-9-7-13(8-10-15)20(28)29-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)