methyl (2S)-4-[3-(4-methylphenyl)sulfonylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[3-(4-methylphenyl)sulfonylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[3-(p-tolylsulfonyl)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[3-(4-methylphenyl)sulfonylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(3-tosylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-14-7-9-15(10-8-14)28(24,25)12-11-19(22)21-13-18(20(23)26-2)27-17-6-4-3-5-16(17)21/h3-10,18H,11-13H2,1-2H3/t18-/m0/s1