methyl (2E)-2-[6-methoxy-7-(2-oxidanylideneethylsulfanyl)benzo[7]annulen-9-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[6-methoxy-7-(2-oxidanylideneethylsulfanyl)benzo[7]annulen-9-ylidene]ethanoate Openeye Name: methyl (2E)-2-[6-methoxy-7-(2-oxoethylsulfanyl)benzo[7]annulen-9-ylidene]acetate CAS Name: (2E)-2-[6-methoxy-7-(2-oxoethylthio)-9-benzo[7]annulenylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[6-methoxy-7-(2-oxoethylsulfanyl)benzo[7]annulen-9-ylidene]acetate Traditional Name: (2E)-2-[7-(2-ketoethylthio)-6-methoxy-benzocyclohepten-9-ylidene]acetic acid methyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C(=CC(=O)OC)C=C1SCC=O

Isomeric SMILES

COC1=CC2=CC=CC=C2/C(=C/C(=O)OC)/C=C1SCC=O

InChI

InChI=1S/C17H16O4S/c1-20-15-9-12-5-3-4-6-14(12)13(11-17(19)21-2)10-16(15)22-8-7-18/h3-7,9-11H,8H2,1-2H3/b13-11+