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

Systemtic Name: 7-(5-methylthiophen-2-yl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-(5-methyl-2-thienyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-(5-methyl-2-thiophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-(5-methylthiophen-2-yl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-(5-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=CC=C(S1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

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