methyl (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)C)C

InChI

InChI=1S/C20H23NO5S/c1-12-10-13(2)15(4)19(14(12)3)27(23,24)21-11-18(20(22)25-5)26-17-9-7-6-8-16(17)21/h6-10,18H,11H2,1-5H3/t18-/m0/s1