ethyl 5-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[4-[methyl(2-thienylsulfonyl)amino]butanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[4-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxobutyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[4-[methyl(2-thienylsulfonyl)amino]butanoylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S3 MolecularWeight: 466.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O5S3/c1-3-27-20(24)17-13-14-12-15(8-9-16(14)29-17)21-18(23)6-4-10-22(2)30(25,26)19-7-5-11-28-19/h5,7-9,11-13H,3-4,6,10H2,1-2H3,(H,21,23)