ethyl 4-methyl-5-(phenylcarbamoyl)-2-[2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[[2-[6-(1-piperidylsulfonyl)benzotriazol-1-yl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[[6-(1-piperidinylsulfonyl)-1-benzotriazolyl]oxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[[2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenylcarbamoyl)-2-[[2-(6-piperidinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H30N6O7S2 MolecularWeight: 626.7038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)N=N3

InChI

InChI=1S/C28H30N6O7S2/c1-3-40-28(37)24-18(2)25(26(36)29-19-10-6-4-7-11-19)42-27(24)30-23(35)17-41-34-22-16-20(12-13-21(22)31-32-34)43(38,39)33-14-8-5-9-15-33/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H,29,36)(H,30,35)