(3-azanyl-5-methoxy-5-oxidanylidene-pentyl) 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate

Systemtic Name: (3-azanyl-5-methoxy-5-oxidanylidene-pentyl) 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Openeye Name: (3-amino-5-methoxy-5-oxo-pentyl) 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate CAS Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid (3-amino-5-methoxy-5-oxopentyl) ester IUPAC Name: (3-amino-5-methoxy-5-oxopentyl) 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Traditional Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylic acid (3-amino-5-keto-5-methoxy-pentyl) ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCOC(=O)C1=C2C(=CC=C1)S2)N

Isomeric SMILES

COC(=O)CC(CCOC(=O)C1=C2C(=CC=C1)S2)N

InChI

InChI=1S/C13H15NO4S/c1-17-11(15)7-8(14)5-6-18-13(16)9-3-2-4-10-12(9)19-10/h2-4,8H,5-7,14H2,1H3