methyl 2-[[(4-butoxy-3-methoxy-phenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-butoxy-3-methoxy-phenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(4-butoxy-3-methoxy-phenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(4-butoxy-3-methoxyphenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-butoxy-3-methoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4-butoxy-3-methoxy-benzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C23H29N3O5S/c1-4-5-12-31-17-11-10-15(13-18(17)29-2)14-24-26-23(28)25-21-20(22(27)30-3)16-8-6-7-9-19(16)32-21/h10-11,13-14H,4-9,12H2,1-3H3,(H2,25,26,28)