methyl 6-methyl-2-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H27N5O7S2 MolecularWeight: 549.61978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

InChI

InChI=1S/C23H27N5O7S2/c1-14-3-5-16-19(11-14)36-22(21(16)23(30)33-2)24-20(29)13-35-28-18-12-15(4-6-17(18)25-26-28)37(31,32)27-7-9-34-10-8-27/h4,6,12,14H,3,5,7-11,13H2,1-2H3,(H,24,29)