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

Systemtic Name: phenethyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-(3-chlorobenzothiophene-2-carbonyl)hydrazino]-4-keto-butyric acid phenethyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c22-19-15-8-4-5-9-16(15)29-20(19)21(27)24-23-17(25)10-11-18(26)28-13-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,25)(H,24,27)