2-azanyl-6-ethoxy-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxidanylidene-7-propyl-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-6-ethoxy-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxidanylidene-7-propyl-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-6-ethoxy-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-5-oxo-7-propyl-4H-oxepine-3-carbonitrile CAS Name: 2-amino-6-ethoxy-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-5-oxo-7-propyl-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-6-ethoxy-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-7-propyl-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-6-ethoxy-5-keto-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-7-propyl-4H-oxepin-3-carbonitrile Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)OCC

Isomeric SMILES

CCCC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)OCC

InChI

InChI=1S/C25H27N3O4S/c1-4-8-20-24(31-5-2)23(29)22(18(14-26)25(27)32-20)16-10-11-19(30-3)17(13-16)15-33-21-9-6-7-12-28-21/h6-7,9-13,22H,4-5,8,15,27H2,1-3H3