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

Systemtic Name: methyl 7-(5-methylthiophen-2-yl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: methyl 7-(5-methyl-2-thienyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 7-(5-methyl-2-thiophenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(5-methylthiophen-2-yl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-7-(5-methyl-2-thienyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester Formula: C17H16O4S2 MolecularWeight: 348.43654

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S2/c1-11-3-5-15(22-11)12-4-6-16-14(9-12)10-13(17(18)21-2)7-8-23(16,19)20/h3-6,9-10H,7-8H2,1-2H3