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

Systemtic Name: 7-(4-methylthiophen-2-yl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(4-methyl-2-thienyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-(4-methyl-2-thiophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(4-methylthiophen-2-yl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-(4-methyl-2-thienyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C16H14O4S2 MolecularWeight: 334.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C16H14O4S2/c1-10-6-14(21-9-10)11-2-3-15-13(7-11)8-12(16(17)18)4-5-22(15,19)20/h2-3,6-9H,4-5H2,1H3,(H,17,18)