methyl 5-oxidanylidene-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 5-oxidanylidene-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 9-isopropyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 5-oxo-9-propan-2-yl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-9-propan-2-yl-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 9-isopropyl-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1CC(SCC2=O)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC2=C1CC(SCC2=O)C(=O)OC

InChI

InChI=1S/C15H18O3S/c1-9(2)10-5-4-6-11-12(10)7-14(15(17)18-3)19-8-13(11)16/h4-6,9,14H,7-8H2,1-3H3