ethyl 2-(4-sulfanylidene-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)ethanoate

Systemtic Name: ethyl 2-(4-sulfanylidene-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)ethanoate Openeye Name: ethyl 2-(4-thioxo-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)acetate CAS Name: 2-(4-sulfanylidene-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-sulfanylidene-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)acetate Traditional Name: 2-(4-thioxo-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)acetic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=S)NC2=C(N1)C=CC=N2

Isomeric SMILES

CCOC(=O)CC1=CC(=S)NC2=C(N1)C=CC=N2

InChI

InChI=1S/C12H13N3O2S/c1-2-17-11(16)7-8-6-10(18)15-12-9(14-8)4-3-5-13-12/h3-6,14H,2,7H2,1H3,(H,13,15,18)