10-methoxy-4-methylsulfanyl-2-oxidanylidene-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carbonitrile

Systemtic Name: 10-methoxy-4-methylsulfanyl-2-oxidanylidene-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carbonitrile Openeye Name: 10-methoxy-4-methylsulfanyl-2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carbonitrile CAS Name: 10-methoxy-4-(methylthio)-2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepin-3-carbonitrile IUPAC Name: 10-methoxy-4-methylsulfanyl-2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carbonitrile Traditional Name: 2-keto-10-methoxy-4-(methylthio)-5,6-dihydropyrano[3,2-d][1]benzoxepin-3-carbonitrile Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCCC3=C2OC(=O)C(=C3SC)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)OCCC3=C2OC(=O)C(=C3SC)C#N

InChI

InChI=1S/C16H13NO4S/c1-19-9-3-4-13-11(7-9)14-10(5-6-20-13)15(22-2)12(8-17)16(18)21-14/h3-4,7H,5-6H2,1-2H3