methyl 2-azanyl-7-chloranyl-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate

Systemtic Name: methyl 2-azanyl-7-chloranyl-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl 2-amino-7-chloro-4-thioxo-5H-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-7-chloro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-7-chloro-4-sulfanylidene-5H-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-7-chloro-4-thioxo-5H-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C11H9ClN2O3S MolecularWeight: 284.71876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C=C(C=C2)Cl)NC1=S)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C=C(C=C2)Cl)NC1=S)N

InChI

InChI=1S/C11H9ClN2O3S/c1-16-11(15)8-9(13)17-7-3-2-5(12)4-6(7)14-10(8)18/h2-4H,13H2,1H3,(H,14,18)