ethyl 4-[2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C21H18ClN3O5S2 MolecularWeight: 491.96772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H18ClN3O5S2/c1-2-29-20(28)12-7-9-13(10-8-12)30-11-16(26)24-25-21(31)23-19(27)18-17(22)14-5-3-4-6-15(14)32-18/h3-10H,2,11H2,1H3,(H,24,26)(H2,23,25,27,31)