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

Systemtic Name: ethyl 2-[(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1-ethylpropyl)phenyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-pentan-3-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(1-ethylpropyl)benzylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=CC=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C23H29NO2S/c1-4-17(5-2)18-13-11-16(12-14-18)15-24-22-21(23(25)26-6-3)19-9-7-8-10-20(19)27-22/h11-15,17H,4-10H2,1-3H3