2-methylbut-3-en-2-yl 3-cyclohexyl-4-(hydroxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: 2-methylbut-3-en-2-yl 3-cyclohexyl-4-(hydroxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: 1,1-dimethylallyl 3-cyclohexyl-4-(hydroxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-cyclohexyl-4-(hydroxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 3-cyclohexyl-4-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-cyclohexyl-8-keto-7-methoxy-4-methylol-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1,1-dimethylallyl ester Formula: C26H34N2O6S2 MolecularWeight: 534.68796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)OC(=O)C1C(=C(SC2N1C(=O)C2(NC(=O)CC3=CC=CS3)OC)CO)C4CCCCC4

Isomeric SMILES

CC(C)(C=C)OC(=O)C1C(=C(SC2N1C(=O)C2(NC(=O)CC3=CC=CS3)OC)CO)C4CCCCC4

InChI

InChI=1S/C26H34N2O6S2/c1-5-25(2,3)34-22(31)21-20(16-10-7-6-8-11-16)18(15-29)36-24-26(33-4,23(32)28(21)24)27-19(30)14-17-12-9-13-35-17/h5,9,12-13,16,21,24,29H,1,6-8,10-11,14-15H2,2-4H3,(H,27,30)