3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid; 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid; 1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid; 1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid; 1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 3-amino-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyric acid; 1,1-diketo-1,2-benzothiazol-3-one Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C14H18N2O5.C7H5NO3S/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);1-4H,(H,8,9)