7-(4-methylsulfanylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(4-methylsulfanylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-methylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-[4-(methylthio)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-methylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-[4-(methylthio)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C18H16O4S2 MolecularWeight: 360.44724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C18H16O4S2/c1-23-16-5-2-12(3-6-16)13-4-7-17-15(10-13)11-14(18(19)20)8-9-24(17,21)22/h2-7,10-11H,8-9H2,1H3,(H,19,20)