7-[(2-chlorophenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 7-[(2-chlorophenyl)methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 7-[(2-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 7-[(2-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 7-[(2-chlorophenyl)methoxy]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 7-(2-chlorobenzyl)oxy-1,1-diketo-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C18H15ClO5S MolecularWeight: 378.8267

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=C(C=C1C(=O)O)C=C(C=C2)OCC3=CC=CC=C3Cl

Isomeric SMILES

C1CS(=O)(=O)C2=C(C=C1C(=O)O)C=C(C=C2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClO5S/c19-16-4-2-1-3-13(16)11-24-15-5-6-17-14(10-15)9-12(18(20)21)7-8-25(17,22)23/h1-6,9-10H,7-8,11H2,(H,20,21)