2-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]carbamoyl]-4-morpholin-4-yl-4-oxidanylidene-butane-1-sulfinic acid

Systemtic Name: 2-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]carbamoyl]-4-morpholin-4-yl-4-oxidanylidene-butane-1-sulfinic acid Openeye Name: 2-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)propyl]carbamoyl]-4-morpholino-4-oxo-butane-1-sulfinic acid CAS Name: 2-[[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-oxomethyl]-4-(4-morpholinyl)-4-oxo-1-butanesulfinic acid IUPAC Name: 2-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamoyl]-4-morpholin-4-yl-4-oxobutane-1-sulfinic acid Traditional Name: 2-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)propyl]carbamoyl]-4-keto-4-morpholino-butane-1-sulfinic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)O

Isomeric SMILES

CC[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)O

InChI

InChI=1S/C20H25N3O7S/c1-2-14(18(25)20-22-15-5-3-4-6-16(15)30-20)21-19(26)13(12-31(27)28)11-17(24)23-7-9-29-10-8-23/h3-6,13-14H,2,7-12H2,1H3,(H,21,26)(H,27,28)/t13?,14-/m0/s1