3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)but-2-enoic acid

Systemtic Name: 3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)but-2-enoic acid Openeye Name: 3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)but-2-enoic acid CAS Name: 3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)-2-butenoic acid IUPAC Name: 3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)but-2-enoic acid Traditional Name: 3-methyl-2-(4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-7-yl)but-2-enoic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1C2C(N1)SC=N2)C(=O)O)C

Isomeric SMILES

CC(=C(C1C2C(N1)SC=N2)C(=O)O)C

InChI

InChI=1S/C9H12N2O2S/c1-4(2)5(9(12)13)6-7-8(11-6)14-3-10-7/h3,6-8,11H,1-2H3,(H,12,13)