ethyl 2-[2-[(2-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methoxy-N-methylsulfonyl-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(N-mesyl-2-methoxy-anilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-4-29-21(25)19-14-9-5-8-12-17(14)30-20(19)22-18(24)13-23(31(3,26)27)15-10-6-7-11-16(15)28-2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,24)