N'-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]-2-oxidanylidene-chromene-3-carbohydrazide

Systemtic Name: N'-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]-2-oxidanylidene-chromene-3-carbohydrazide Openeye Name: N'-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-2-oxo-chromene-3-carbohydrazide CAS Name: N'-[[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-2-oxo-1-benzopyran-3-carbohydrazide IUPAC Name: N'-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-2-oxochromene-3-carbohydrazide Traditional Name: N'-[(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-2-keto-chromene-3-carbohydrazide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H20N2O4S/c1-2-12-7-8-17-14(9-12)11-18(28-17)20(25)23-22-19(24)15-10-13-5-3-4-6-16(13)27-21(15)26/h3-6,10-12H,2,7-9H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1