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

Systemtic Name: 7-(4-ethylsulfanylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-ethylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-[4-(ethylthio)phenyl]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-ethylsulfanylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 7-[4-(ethylthio)phenyl]-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C19H18O4S2 MolecularWeight: 374.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C19H18O4S2/c1-2-24-17-6-3-13(4-7-17)14-5-8-18-16(11-14)12-15(19(20)21)9-10-25(18,22)23/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)