ethyl 2-(2-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl)ethanoate

Systemtic Name: ethyl 2-(2-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl)ethanoate Openeye Name: ethyl 2-(2-thioxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate CAS Name: 2-(2-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-sulfanylidene-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate Traditional Name: 2-(2-thioxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=S)NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CC1=CC(=S)NC2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O2S/c1-2-17-13(16)8-9-7-12(18)15-11-6-4-3-5-10(11)14-9/h3-7,14H,2,8H2,1H3,(H,15,18)