3-phenylpropyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c23-20-16-10-4-5-11-17(16)30-21(20)22(28)25-24-18(26)12-13-19(27)29-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,24,26)(H,25,28)