3-methyl-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-4-(1,2,3-triazol-1-yl)butanoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-4-(1,2,3-triazol-1-yl)butanoic acid Openeye Name: 3-methyl-2-[[(E)-3-oxoprop-1-enyl]amino]-3-sulfino-4-(triazol-1-yl)butanoic acid CAS Name: 3-methyl-2-[[(E)-3-oxoprop-1-enyl]amino]-3-sulfino-4-(1-triazolyl)butanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-oxoprop-1-enyl]amino]-3-sulfino-4-(triazol-1-yl)butanoic acid Traditional Name: 2-[[(E)-3-ketoprop-1-enyl]amino]-3-methyl-3-sulfino-4-(triazol-1-yl)butyric acid Formula: C10H14N4O5S MolecularWeight: 302.30696

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=N1)(C(C(=O)O)NC=CC=O)S(=O)O

Isomeric SMILES

CC(CN1C=CN=N1)(C(C(=O)O)N/C=C/C=O)S(=O)O

InChI

InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11H,7H2,1H3,(H,16,17)(H,18,19)/b3-2+