methyl 7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate

Systemtic Name: methyl 7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate Openeye Name: methyl 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate CAS Name: 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate Traditional Name: 1,1-diketo-7-methyl-2,3-dihydro-1$l^{6}-benzothiepin-8-carboxylic acid methyl ester Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=CCCS2(=O)=O)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C=CCCS2(=O)=O)C(=O)OC

InChI

InChI=1S/C13H14O4S/c1-9-7-10-5-3-4-6-18(15,16)12(10)8-11(9)13(14)17-2/h3,5,7-8H,4,6H2,1-2H3