ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-5-ethyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C(=O)OCC)C

InChI

InChI=1S/C21H25NO5S2/c1-4-17-13(3)19(21(24)25-5-2)20(29-17)22-18(23)12-28-14-7-8-15-16(11-14)27-10-6-9-26-15/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23)