4-(methoxymethyl)-5-(thiomorpholin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-(methoxymethyl)-5-(thiomorpholin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-(methoxymethyl)-5-(thiomorpholinomethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-(methoxymethyl)-5-(thiomorpholin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-(methoxymethyl)-5-(thiomorpholin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-(methoxymethyl)-5-(thiomorpholinomethyl)-9H-$b-carboline-3-carboxylic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)CN4CCSCC4

Isomeric SMILES

COCC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)CN4CCSCC4

InChI

InChI=1S/C19H21N3O3S/c1-25-11-13-17-15(9-20-18(13)19(23)24)21-14-4-2-3-12(16(14)17)10-22-5-7-26-8-6-22/h2-4,9,21H,5-8,10-11H2,1H3,(H,23,24)