7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4-cyclopropyl-but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4-cyclopropyl-but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(Z)-2-(2-aminothiazol-4-yl)-4-cyclopropyl-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(Z)-2-(2-amino-4-thiazolyl)-4-cyclopropyl-1-oxobut-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-cyclopropylbut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(Z)-2-(2-aminothiazol-4-yl)-4-cyclopropyl-but-2-enoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N4O4S2 MolecularWeight: 406.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=CCS4)C(=O)O

Isomeric SMILES

C1CC1C/C=C(/C2=CSC(=N2)N)\C(=O)NC3C4N(C3=O)C(=CCS4)C(=O)O

InChI

InChI=1S/C17H18N4O4S2/c18-17-19-10(7-27-17)9(4-3-8-1-2-8)13(22)20-12-14(23)21-11(16(24)25)5-6-26-15(12)21/h4-5,7-8,12,15H,1-3,6H2,(H2,18,19)(H,20,22)(H,24,25)/b9-4-