3-phenylpropyl 5-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-5-oxo-pentanoate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C23H23ClN2O4S/c24-21-17-11-4-5-12-18(17)31-22(21)23(29)26-25-19(27)13-6-14-20(28)30-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,25,27)(H,26,29)