methyl 7-cyclohexyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 7-cyclohexyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 7-cyclohexyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 7-cyclohexyl-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C=C(C=C2)C3CCCCC3)C(=O)CS1

Isomeric SMILES

COC(=O)C1CC2=C(C=C(C=C2)C3CCCCC3)C(=O)CS1

InChI

InChI=1S/C18H22O3S/c1-21-18(20)17-10-14-8-7-13(12-5-3-2-4-6-12)9-15(14)16(19)11-22-17/h7-9,12,17H,2-6,10-11H2,1H3