ethyl 4-(4-chlorophenyl)-2-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H24ClN5O7S2 MolecularWeight: 606.07036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

InChI

InChI=1S/C25H24ClN5O7S2/c1-2-37-25(33)23-19(16-3-5-17(26)6-4-16)15-39-24(23)27-22(32)14-38-31-21-13-18(7-8-20(21)28-29-31)40(34,35)30-9-11-36-12-10-30/h3-8,13,15H,2,9-12,14H2,1H3,(H,27,32)