ethyl (2R)-6-ethylsulfonyl-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl (2R)-6-ethylsulfonyl-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl (2R)-6-ethylsulfonyl-4-(2-thienylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-6-ethylsulfonyl-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-6-ethylsulfonyl-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-6-esyl-4-(2-thienylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C17H19NO7S3 MolecularWeight: 445.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)CC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19NO7S3/c1-3-24-17(19)15-11-18(28(22,23)16-6-5-9-26-16)13-10-12(27(20,21)4-2)7-8-14(13)25-15/h5-10,15H,3-4,11H2,1-2H3/t15-/m1/s1