sodium 2-(2-azanyl-1,3-benzothiazol-6-yl)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoate

Systemtic Name: sodium 2-(2-azanyl-1,3-benzothiazol-6-yl)-2-[[(Z)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoate Openeye Name: sodium 2-(2-amino-1,3-benzothiazol-6-yl)-2-[[(Z)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]acetate CAS Name: sodium 2-(2-amino-1,3-benzothiazol-6-yl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate IUPAC Name: sodium 2-(2-amino-1,3-benzothiazol-6-yl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate Traditional Name: sodium 2-(2-amino-1,3-benzothiazol-6-yl)-2-[[(Z)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]acetate Formula: C14H14N3NaO4S MolecularWeight: 343.33343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC(C1=CC2=C(C=C1)N=C(S2)N)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=C/C(=O)OC)/NC(C1=CC2=C(C=C1)N=C(S2)N)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H15N3O4S.Na/c1-7(5-11(18)21-2)16-12(13(19)20)8-3-4-9-10(6-8)22-14(15)17-9;/h3-6,12,16H,1-2H3,(H2,15,17)(H,19,20);/q;+1/p-1/b7-5-;