2-cyanoethanoic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole

Systemtic Name: 2-cyanoethanoic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole Openeye Name: 2-cyanoacetic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole CAS Name: 2-cyanoacetic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole IUPAC Name: 2-cyanoacetic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole Traditional Name: 2-cyanoacetic acid; 2-(1H-inden-1-yl)-4,5-dimethyl-1,3-dithiole Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(S1)C2C=CC3=CC=CC=C23)C.C(C#N)C(=O)O

Isomeric SMILES

CC1=C(SC(S1)C2C=CC3=CC=CC=C23)C.C(C#N)C(=O)O

InChI

InChI=1S/C14H14S2.C3H3NO2/c1-9-10(2)16-14(15-9)13-8-7-11-5-3-4-6-12(11)13;4-2-1-3(5)6/h3-8,13-14H,1-2H3;1H2,(H,5,6)