S-methyl 1,2,3-benzothiadiazole-7-carbothioate; 2-(phosphonomethylamino)ethanoic acid

Systemtic Name: S-methyl 1,2,3-benzothiadiazole-7-carbothioate; 2-(phosphonomethylamino)ethanoic acid Openeye Name: S-methyl 1,2,3-benzothiadiazole-7-carbothioate; 2-(phosphonomethylamino)acetic acid CAS Name: 1,2,3-benzothiadiazole-7-carbothioic acid S-methyl ester; 2-(phosphonomethylamino)acetic acid IUPAC Name: S-methyl 1,2,3-benzothiadiazole-7-carbothioate; 2-(phosphonomethylamino)acetic acid Traditional Name: 1,2,3-benzothiadiazole-7-carbothioic acid S-methyl ester; 2-(phosphonomethylamino)acetic acid Formula: C11H14N3O6PS2 MolecularWeight: 379.349121

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=C2C(=CC=C1)N=NS2.C(C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CSC(=O)C1=C2C(=CC=C1)N=NS2.C(C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C8H6N2OS2.C3H8NO5P/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6;5-3(6)1-4-2-10(7,8)9/h2-4H,1H3;4H,1-2H2,(H,5,6)(H2,7,8,9)