methyl 4-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoate CAS Name: 4-[[(4-ethyl-1,3-benzothiazol-2-yl)-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-3-17-5-4-6-20-21(17)25-24(32-20)27(12-11-26-13-15-31-16-14-26)22(28)18-7-9-19(10-8-18)23(29)30-2/h4-10H,3,11-16H2,1-2H3