ethyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H19NO5S2/c1-3-22-18(21)17-11(2)8-16(26-17)19-15(20)10-25-12-4-5-13-14(9-12)24-7-6-23-13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,20)