3-azanyl-7-methoxy-2H-1,5-benzoxathiepine-4-carbonitrile

Systemtic Name: 3-azanyl-7-methoxy-2H-1,5-benzoxathiepine-4-carbonitrile Openeye Name: 3-amino-7-methoxy-2H-1,5-benzoxathiepine-4-carbonitrile CAS Name: 3-amino-7-methoxy-2H-1,5-benzoxathiepin-4-carbonitrile IUPAC Name: 3-amino-7-methoxy-2H-1,5-benzoxathiepine-4-carbonitrile Traditional Name: 3-amino-7-methoxy-2H-1,5-benzoxathiepin-4-carbonitrile Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C(S2)C#N)N

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C(S2)C#N)N

InChI

InChI=1S/C11H10N2O2S/c1-14-7-2-3-9-10(4-7)16-11(5-12)8(13)6-15-9/h2-4H,6,13H2,1H3