7-(5-chloranylthiophen-2-yl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(5-chloranylthiophen-2-yl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(5-chloro-2-thienyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-(5-chloro-2-thiophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(5-chlorothiophen-2-yl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 7-(5-chloro-2-thienyl)-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C15H11ClO4S2 MolecularWeight: 354.82844

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(S3)Cl

Isomeric SMILES

C1CS(=O)(=O)C2=C(C=C1C(=O)O)C=C(C=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H11ClO4S2/c16-14-4-2-12(21-14)9-1-3-13-11(7-9)8-10(15(17)18)5-6-22(13,19)20/h1-4,7-8H,5-6H2,(H,17,18)