methyl 5-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H28N2O3S/c1-3-27-19-8-5-17(6-9-19)15-22-11-4-12-23(14-13-22)16-18-7-10-20(26-18)21(24)25-2/h5-10H,3-4,11-16H2,1-2H3