ethyl 2-[2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(N-p-phenetylsulfonylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O6S2 MolecularWeight: 542.6669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O6S2/c1-3-34-20-14-16-21(17-15-20)37(32,33)29(19-10-6-5-7-11-19)18-24(30)28-26-25(27(31)35-4-2)22-12-8-9-13-23(22)36-26/h5-7,10-11,14-17H,3-4,8-9,12-13,18H2,1-2H3,(H,28,30)