(2S)-6-(carboxymethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: (2S)-6-(carboxymethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: (2S)-6-(carboxymethyl)-4-(2-thienylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: (2S)-6-(carboxymethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: (2S)-6-(carboxymethyl)-4-thiophen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: (2S)-6-(carboxymethyl)-4-(2-thienylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C15H13NO7S2 MolecularWeight: 383.39622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1S(=O)(=O)C3=CC=CS3)C=C(C=C2)CC(=O)O)C(=O)O

Isomeric SMILES

C1[C@H](OC2=C(N1S(=O)(=O)C3=CC=CS3)C=C(C=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C15H13NO7S2/c17-13(18)7-9-3-4-11-10(6-9)16(8-12(23-11)15(19)20)25(21,22)14-2-1-5-24-14/h1-6,12H,7-8H2,(H,17,18)(H,19,20)/t12-/m0/s1