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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC(=CC=C3)Br)C

InChI

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