dodecyl 2-(2,2-dimethylbutanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylate

Systemtic Name: dodecyl 2-(2,2-dimethylbutanethioyl)-3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylate Openeye Name: dodecyl 2-(2,2-dimethylbutanethioyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylate CAS Name: 2-(2,2-dimethyl-1-sulfanylidenebutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid dodecyl ester IUPAC Name: dodecyl 2-(2,2-dimethylbutanethioyl)-3-oxo-4H-1,4-benzoxazine-6-carboxylate Traditional Name: 2-(2,2-dimethylbutanethioyl)-3-keto-4H-1,4-benzoxazine-6-carboxylic acid lauryl ester Formula: C27H41NO4S MolecularWeight: 475.68374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OC(C(=O)N2)C(=S)C(C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)OC(C(=O)N2)C(=S)C(C)(C)CC

InChI

InChI=1S/C27H41NO4S/c1-5-7-8-9-10-11-12-13-14-15-18-31-26(30)20-16-17-22-21(19-20)28-25(29)23(32-22)24(33)27(3,4)6-2/h16-17,19,23H,5-15,18H2,1-4H3,(H,28,29)