methyl 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoate

Systemtic Name: methyl 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoate Openeye Name: methyl 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoate CAS Name: 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoate Traditional Name: 3-methyl-4-(7-thia-9-azaspiro[4.4]non-8-en-8-ylamino)benzoic acid methyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC2=NC3(CCCC3)CS2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC2=NC3(CCCC3)CS2

InChI

InChI=1S/C16H20N2O2S/c1-11-9-12(14(19)20-2)5-6-13(11)17-15-18-16(10-21-15)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,18)