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

Systemtic Name: methyl (2S)-4-(4-ethoxycarbonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(4-ethoxycarbonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(4-ethoxycarbonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-ethoxycarbonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(4-carbethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-3-26-18(21)13-8-10-14(11-9-13)28(23,24)20-12-17(19(22)25-2)27-16-7-5-4-6-15(16)20/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1