ethyl 2-[[3,5-bis(chloranyl)-4-propoxy-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis(chloranyl)-4-propoxy-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3,5-dichloro-4-propoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,5-dichloro-4-propoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dichloro-4-propoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,5-dichloro-4-propoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Cl

InChI

InChI=1S/C21H23Cl2NO4S/c1-3-9-28-18-14(22)10-12(11-15(18)23)19(25)24-20-17(21(26)27-4-2)13-7-5-6-8-16(13)29-20/h10-11H,3-9H2,1-2H3,(H,24,25)