methyl (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(2,4-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C18H19NO5S/c1-12-8-9-17(13(2)10-12)25(21,22)19-11-16(18(20)23-3)24-15-7-5-4-6-14(15)19/h4-10,16H,11H2,1-3H3/t16-/m0/s1