ethyl 2-azanyl-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-thioxo-5H-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-thioxo-5H-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC=CC=C2NC1=S)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC=CC=C2NC1=S)N

InChI

InChI=1S/C12H12N2O3S/c1-2-16-12(15)9-10(13)17-8-6-4-3-5-7(8)14-11(9)18/h3-6H,2,13H2,1H3,(H,14,18)