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

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-4-propoxy-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO4S/c1-3-8-27-17-13(21)9-11(10-14(17)22)18(24)23-19-16(20(25)26-2)12-6-4-5-7-15(12)28-19/h9-10H,3-8H2,1-2H3,(H,23,24)