methyl (3aR,8R,8aS)-2-oxidanylidene-8-phenylsulfanyl-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylate

Systemtic Name: methyl (3aR,8R,8aS)-2-oxidanylidene-8-phenylsulfanyl-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylate Openeye Name: methyl (3aR,8R,8aS)-2-oxo-8-phenylsulfanyl-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylate CAS Name: (3aR,8R,8aS)-2-oxo-8-(phenylthio)-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aR,8R,8aS)-2-oxo-8-phenylsulfanyl-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylate Traditional Name: (3aR,8R,8aS)-2-keto-8-(phenylthio)-3,3a,8,8a-tetrahydro-1H-azulene-1-carboxylic acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2C(CC1=O)C=CC=CC2SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1[C@@H]2[C@H](CC1=O)C=CC=C[C@H]2SC3=CC=CC=C3

InChI

InChI=1S/C18H18O3S/c1-21-18(20)17-14(19)11-12-7-5-6-10-15(16(12)17)22-13-8-3-2-4-9-13/h2-10,12,15-17H,11H2,1H3/t12-,15+,16+,17?/m0/s1