ethyl 5-azanyl-7-sulfanylidene-3,4-dihydro-2H-1,4-thiazepine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-7-sulfanylidene-3,4-dihydro-2H-1,4-thiazepine-6-carboxylate Openeye Name: ethyl 5-amino-7-thioxo-3,4-dihydro-2H-1,4-thiazepine-6-carboxylate CAS Name: 5-amino-7-sulfanylidene-3,4-dihydro-2H-1,4-thiazepine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-sulfanylidene-3,4-dihydro-2H-1,4-thiazepine-6-carboxylate Traditional Name: 5-amino-7-thioxo-3,4-dihydro-2H-1,4-thiazepine-6-carboxylic acid ethyl ester Formula: C8H12N2O2S2 MolecularWeight: 232.32308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NCCSC1=S)N

Isomeric SMILES

CCOC(=O)C1=C(NCCSC1=S)N

InChI

InChI=1S/C8H12N2O2S2/c1-2-12-7(11)5-6(9)10-3-4-14-8(5)13/h10H,2-4,9H2,1H3