butyl 7-methyl-1,1-bis(oxidanylidene)-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-8-carboxylate

Systemtic Name: butyl 7-methyl-1,1-bis(oxidanylidene)-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-8-carboxylate Openeye Name: butyl 7-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-8-carboxylate CAS Name: 7-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepin-8-carboxylic acid butyl ester IUPAC Name: butyl 7-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1$l^{6}-benzothiepine-8-carboxylate Traditional Name: 1,1-diketo-7-methyl-2,3,4,5-tetrahydro-1$l^{6}-benzothiepin-8-carboxylic acid butyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(CCCCS2(=O)=O)C=C1C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(CCCCS2(=O)=O)C=C1C

InChI

InChI=1S/C16H22O4S/c1-3-4-8-20-16(17)14-11-15-13(10-12(14)2)7-5-6-9-21(15,18)19/h10-11H,3-9H2,1-2H3