ethyl 7-[[4-(3-methanoylthiophen-2-yl)phenyl]methyl-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[4-(3-methanoylthiophen-2-yl)phenyl]methyl-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[4-(3-formyl-2-thienyl)phenyl]methyl-methylsulfonyl-amino]heptanoate CAS Name: 7-[[4-(3-formyl-2-thiophenyl)phenyl]methyl-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-(3-formylthiophen-2-yl)phenyl]methyl-methylsulfonylamino]heptanoate Traditional Name: 7-[[4-(3-formyl-2-thienyl)benzyl]-mesyl-amino]enanthic acid ethyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C2=C(C=CS2)C=O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CC1=CC=C(C=C1)C2=C(C=CS2)C=O)S(=O)(=O)C

InChI

InChI=1S/C22H29NO5S2/c1-3-28-21(25)8-6-4-5-7-14-23(30(2,26)27)16-18-9-11-19(12-10-18)22-20(17-24)13-15-29-22/h9-13,15,17H,3-8,14,16H2,1-2H3