methyl (3S)-2-methanoylimino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate

Systemtic Name: methyl (3S)-2-methanoylimino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl (3S)-2-formylimino-4-thioxo-5H-1,5-benzoxazepine-3-carboxylate CAS Name: (3S)-2-formylimino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-formylimino-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Traditional Name: (3S)-2-formylimino-4-thioxo-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=S)NC2=CC=CC=C2OC1=NC=O

Isomeric SMILES

COC(=O)[C@H]1C(=S)NC2=CC=CC=C2OC1=NC=O

InChI

InChI=1S/C12H10N2O4S/c1-17-12(16)9-10(13-6-15)18-8-5-3-2-4-7(8)14-11(9)19/h2-6,9H,1H3,(H,14,19)/t9-/m1/s1