ethyl 2-[[(2-ethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2-ethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2-ethoxyphenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-ethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2-ethoxybenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C21H25N3O4S/c1-3-27-16-11-7-5-9-14(16)13-22-24-21(26)23-19-18(20(25)28-4-2)15-10-6-8-12-17(15)29-19/h5,7,9,11,13H,3-4,6,8,10,12H2,1-2H3,(H2,23,24,26)